Molecule Details
| InChIKey | ZBNZXTGUTAYRHI-UHFFFAOYSA-N |
|---|---|
| Compound Name | Dasatinib |
| Canonical SMILES | Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 102 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.63 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01254 |
|---|---|
| Drug Name | Dasatinib |
| CAS Number | 302962-49-8 |
| Groups | approved investigational |
| ATC Codes | L01EA02 |
| Description | Dasatinib is an orally available multikinase inhibitor indicated for the treatment of Philadelphia chromosome (Ph)-positive leukemias.[A2224,L45171] Ph is a chromosomal abnormality found in patients with chronic myelogenous leukemia (CML) and acute lymphocytic leukemia (ALL), where the ABL tyrosine ... |
Categories: Antineoplastic Agents Antineoplastic and Immunomodulating Agents BCRP/ABCG2 Inhibitors BCRP/ABCG2 Substrates Bcr-Abl Tyrosine Kinase Inhibitors Cytochrome P-450 CYP1A1 Substrates Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (weak) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Drugs causing inadvertant photosensitivity Enzyme Inhibitors Immunosuppressive Agents Kinase Inhibitor Myelosuppressive Agents Narrow Therapeutic Index Drugs P-glycoprotein inhibitors P-glycoprotein substrates P-glycoprotein substrates with a Narrow Therapeutic Index Photosensitizing Agents Potential QTc-Prolonging Agents Protein Kinase Inhibitors Pyrimidines QTc Prolonging Agents Sulfur Compounds Thiazoles Tyrosine Kinase Inhibitors
Cross-references: BindingDB: 31089 ChEBI: 49375 CHEMBL1421 ChemSpider: 2323020 Drugs Product Database (DPD): 20122 D03658 PDB: 1N1 PharmGKB: PA162372878 PubChem:3062316 PubChem:46505143 RxCUI: 1546019 Therapeutic Targets Database: DAP000004 Wikipedia: Dasatinib ZINC: ZINC000003986735
Target Activities (102)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P29320 | EPHA3 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF07647 | 10.0 | Kd | ChEMBL;BindingDB |
| P42684 | ABL2 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 9.8 | Kd | ChEMBL;BindingDB |
| P51451 | BLK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 9.7 | Kd | ChEMBL;BindingDB |
| P29322 | EPHA8 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 9.6 | Kd | ChEMBL;BindingDB |
| P54756 | EPHA5 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 9.6 | Kd | ChEMBL;BindingDB |
| P42685 | FRK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 9.5 | Kd | ChEMBL;BindingDB |
| P54760 | EPHB4 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 9.5 | Kd | ChEMBL;BindingDB |
| P08631 | HCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 9.5 | Kd | ChEMBL;BindingDB |
| P54762 | EPHB1 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 9.3 | Kd | ChEMBL;BindingDB |
| P07947 | YES1 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 9.3 | Kd | ChEMBL;BindingDB |
| P09769 | FGR | Homo sapiens | Human | PF07714 PF00017 PF00018 | 9.3 | Kd | ChEMBL;BindingDB |
| P07333 | CSF1R | Homo sapiens | Human | PF00047 PF25305 PF07714 | 9.2 | IC50 | ChEMBL;BindingDB |
| P09619 | PDGFRB | Homo sapiens | Human | PF00047 PF13927 PF25305 PF07714 | 9.2 | Kd | ChEMBL;BindingDB |
| O75716 | STK16 | Homo sapiens | Human | PF00069 | 9.1 | pIC50 | TTD_MultiTarget |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 9.1 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 9.1 | pIC50 | TTD_MultiTarget |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 9.0 | IC50 | ChEMBL;BindingDB |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 9.0 | IC50 | ChEMBL;BindingDB |
| P41240 | CSK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 9.0 | Kd | ChEMBL;BindingDB |
| P06241 | FYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 8.9 | Kd | ChEMBL;BindingDB |
| P07948 | LYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 8.9 | Kd | ChEMBL;BindingDB |
| P54764 | EPHA4 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF07647 | 8.9 | Kd | ChEMBL;BindingDB |
| P51813 | BMX | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 | 8.8 | Kd | ChEMBL;BindingDB |
| P14867 | GABRA1 | Homo sapiens | Human | PF02931 PF02932 | 8.8 | IC50 | BindingDB |
| Q08345 | DDR1 | Homo sapiens | Human | PF21114 PF00754 PF07714 | 8.7 | Kd | ChEMBL;BindingDB |
| P42681 | TXK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 8.7 | Kd | ChEMBL;BindingDB |
| P16234 | PDGFRA | Homo sapiens | Human | PF07679 PF25305 PF07714 | 8.7 | Kd | ChEMBL;BindingDB |
| O14976 | GAK | Homo sapiens | Human | PF00069 PF10409 | 8.6 | Kd | ChEMBL;BindingDB |
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 8.6 | IC50 | ChEMBL;BindingDB |
| P29323 | EPHB2 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 8.6 | Kd | ChEMBL;BindingDB |
| Q06187 | BTK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 8.5 | IC50 | ChEMBL;BindingDB |
| P29317 | EPHA2 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 8.5 | Kd | ChEMBL;BindingDB |
| Q16832 | DDR2 | Homo sapiens | Human | PF21114 PF00754 PF07714 | 8.5 | IC50 | ChEMBL;BindingDB |
| Q13163 | MAP2K5 | Homo sapiens | Human | PF00564 PF00069 | 8.5 | Kd | ChEMBL;BindingDB |
| P57059 | SIK1 | Homo sapiens | Human | PF00069 PF23312 | 8.4 | Kd | ChEMBL;BindingDB |
| P11362 | FGFR1 | Homo sapiens | Human | PF07679 PF00047 PF07714 | 8.4 | pIC50 | TTD_MultiTarget |
| P21709 | EPHA1 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 8.4 | Kd | ChEMBL;BindingDB |
| Q07912 | TNK2 | Homo sapiens | Human | PF09027 PF11555 PF07714 PF22931 PF14604 | 8.2 | Kd | ChEMBL;BindingDB |
| Q9H0K1 | SIK2 | Homo sapiens | Human | PF00069 PF23312 | 8.2 | Kd | ChEMBL;BindingDB |
| P54753 | EPHB3 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 8.2 | Kd | ChEMBL;BindingDB |
| Q13882 | PTK6 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 8.1 | IC50 | ChEMBL;BindingDB |
| Q59H18 | TNNI3K | Homo sapiens | Human | PF12796 PF07714 | 8.0 | Kd | ChEMBL;BindingDB |
| P42680 | TEC | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 7.9 | Kd | ChEMBL;BindingDB |
| Q9H3Y6 | SRMS | Homo sapiens | Human | PF07714 PF00017 | 7.9 | Kd | ChEMBL;BindingDB |
| Q9Y2K2 | SIK3 | Homo sapiens | Human | PF00069 PF23312 | 7.8 | IC50 | ChEMBL;BindingDB |
| P11274 | BCR | Homo sapiens | Human | PF09036 PF00168 PF19057 PF00620 PF00621 | 7.8 | IC50 | ChEMBL |
| P21860 | ERBB3 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 | 7.7 | Kd | ChEMBL;BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 7.6 | Kd | BindingDB |
| O43353 | RIPK2 | Homo sapiens | Human | PF00619 PF07714 | 7.5 | Kd | ChEMBL;BindingDB |
| Q15569 | TESK1 | Homo sapiens | Human | PF07714 | 7.5 | Kd | ChEMBL;BindingDB |
| O15197 | EPHB6 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF07647 | 7.5 | Kd | ChEMBL;BindingDB |
| Q9NYL2 | MAP3K20 | Homo sapiens | Human | PF07714 PF07647 | 7.3 | Kd | ChEMBL;BindingDB |
| Q9Y4K4 | MAP4K5 | Homo sapiens | Human | PF00780 PF00069 | 7.3 | Kd | ChEMBL;BindingDB |
| O00238 | BMPR1B | Homo sapiens | Human | PF01064 PF07714 PF08515 | 7.3 | Kd | ChEMBL;BindingDB |
| Q15303 | ERBB4 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 7.3 | Kd | ChEMBL;BindingDB |
| Q01538 | MYT1 | Homo sapiens | Human | PF08474 PF01530 | 7.2 | IC50 | ChEMBL;BindingDB |
| Q15746 | MYLK | Homo sapiens | Human | PF16620 PF00041 PF07679 PF00069 | 7.1 | Kd | ChEMBL |
| Q56UN5 | MAP3K19 | Homo sapiens | Human | PF00069 | 7.1 | Kd | ChEMBL;BindingDB |
| P53671 | LIMK2 | Homo sapiens | Human | PF00412 PF00595 PF07714 | 7.1 | IC50 | ChEMBL;BindingDB |
| O15264 | MAPK13 | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL |
| P53778 | MAPK12 | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL |
| Q16539 | MAPK14 | Homo sapiens | Human | PF00069 | 7.0 | Kd | ChEMBL;BindingDB |
| P29597 | TYK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.0 | Kd | ChEMBL;BindingDB |
| P53667 | LIMK1 | Homo sapiens | Human | PF00412 PF00595 PF07714 | 6.9 | IC50 | ChEMBL;BindingDB |
| P04626 | ERBB2 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.9 | pIC50 | TTD_MultiTarget |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.9 | Kd | ChEMBL;BindingDB |
| Q99640 | PKMYT1 | Homo sapiens | Human | PF00069 | 6.9 | Kd | ChEMBL;BindingDB |
| Q9Y2U5 | MAP3K2 | Homo sapiens | Human | PF00564 PF00069 | 6.8 | Kd | ChEMBL;BindingDB |
| Q8NI60 | COQ8A | Homo sapiens | Human | PF03109 | 6.7 | Kd | ChEMBL;BindingDB |
| P43405 | SYK | Homo sapiens | Human | PF07714 PF00017 | 6.7 | Ki | ChEMBL |
| P27037 | ACVR2A | Homo sapiens | Human | PF01064 PF00069 | 6.7 | Kd | ChEMBL;BindingDB |
| Q9NRP7 | STK36 | Homo sapiens | Human | PF13646 PF00069 | 6.7 | Kd | ChEMBL;BindingDB |
| P36897 | TGFBR1 | Homo sapiens | Human | PF01064 PF00069 PF08515 | 6.6 | Kd | ChEMBL |
| Q08881 | ITK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 6.6 | IC50 | ChEMBL |
| Q9UBE8 | NLK | Homo sapiens | Human | PF00069 | 6.6 | Kd | ChEMBL;BindingDB |
| Q99759 | MAP3K3 | Homo sapiens | Human | PF00564 PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| P0C1S8 | WEE2 | Homo sapiens | Human | PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| Q9Y6R4 | MAP3K4 | Homo sapiens | Human | PF19431 PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| P36896 | ACVR1B | Homo sapiens | Human | PF01064 PF00069 PF08515 | 6.5 | Kd | ChEMBL;BindingDB |
| Q16512 | PKN1 | Homo sapiens | Human | PF02185 PF00069 PF00433 | 6.5 | Kd | ChEMBL |
| Q15759 | MAPK11 | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL;BindingDB |
| Q8N4C8 | MINK1 | Homo sapiens | Human | PF00780 PF00069 | 6.4 | Kd | ChEMBL;BindingDB |
| P37023 | ACVRL1 | Homo sapiens | Human | PF07714 PF08515 | 6.3 | Kd | ChEMBL;BindingDB |
| Q8NG66 | NEK11 | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| P15056 | BRAF | Homo sapiens | Human | PF00130 PF07714 PF02196 | 6.3 | Kd | ChEMBL;BindingDB |
| P49137 | MAPKAPK2 | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 6.3 | Kd | ChEMBL;BindingDB |
| P04049 | RAF1 | Homo sapiens | Human | PF00130 PF07714 PF02196 | 6.2 | Kd | ChEMBL;BindingDB |
| Q13705 | ACVR2B | Homo sapiens | Human | PF01064 PF00069 | 6.2 | Kd | ChEMBL;BindingDB |
| Q04771 | ACVR1 | Homo sapiens | Human | PF01064 PF07714 PF08515 | 6.2 | Kd | ChEMBL;BindingDB |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.2 | Kd | ChEMBL;BindingDB |
| Q8IVH8 | MAP4K3 | Homo sapiens | Human | PF00780 PF00069 | 6.2 | Kd | ChEMBL;BindingDB |
| Q13470 | TNK1 | Homo sapiens | Human | PF07714 PF22931 | 6.2 | Kd | ChEMBL |
| Q04759 | PRKCQ | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 6.2 | Kd | ChEMBL |
| Q9H2G2 | SLK | Homo sapiens | Human | PF00069 PF12474 | 6.1 | Kd | ChEMBL;BindingDB |
| O96013 | PAK4 | Homo sapiens | Human | PF00786 PF00069 | 6.1 | Kd | ChEMBL |
| Q8TDR2 | STK35 | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| Q92918 | MAP4K1 | Homo sapiens | Human | PF00780 PF00069 | 6.0 | Kd | ChEMBL;BindingDB |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.0 | Kd | ChEMBL;BindingDB |
| Q02750 | MAP2K1 | Homo sapiens | Human | PF00069 | 6.0 | Kd | ChEMBL;BindingDB |
| Q7L7X3 | TAOK1 | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |
| P62343 | CDPK1 | Plasmodium falciparum (isolate K1 / Thailand) | Pathogen | PF13499 PF00069 | 6.2 | Kd | BindingDB |
DrugBank Target Actions (38)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P04798 | CYP1A1 | Cytochrome P450 1A1 | substrate | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | substrate | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| P31513 | P31513 | Flavin-containing monooxygenase 3 | substrate | enzymes |
| Q16678 | CYP1B1 | Cytochrome P450 1B1 | substrate | enzymes |
| P09619 | PDGFRB | Platelet-derived growth factor receptor beta | antagonist | targets |
| P10721 | KIT | Mast/stem cell growth factor receptor Kit | antagonist | targets |
| P29317 | EPHA2 | Ephrin type-A receptor 2 | antagonist | targets |
| P11142 | HSPA8 | Heat shock cognate 71 kDa protein | binder | targets |
| P42685 | FRK | Tyrosine-protein kinase FRK | binder | targets |
| Q06203 | Q06203 | Amidophosphoribosyltransferase | binder | targets |
| Q16539 | MAPK14 | Mitogen-activated protein kinase 14 | binder | targets |
| Q9NYL2 | MAP3K20 | Mitogen-activated protein kinase kinase kinase 20 | binder | targets |
| P00519 | ABL1 | Tyrosine-protein kinase ABL1 | inhibitor | targets |
| P06239 | LCK | Tyrosine-protein kinase Lck | inhibitor | targets |
| P06241 | FYN | Tyrosine-protein kinase Fyn | inhibitor | targets |
| P07947 | YES1 | Tyrosine-protein kinase Yes | inhibitor | targets |
| P07948 | LYN | Tyrosine-protein kinase Lyn | inhibitor | targets |
| P09769 | FGR | Tyrosine-protein kinase Fgr | inhibitor | targets |
| P11274 | BCR | Breakpoint cluster region protein | inhibitor | targets |
| P12931 | SRC | Proto-oncogene tyrosine-protein kinase Src | inhibitor | targets |
| P41240 | CSK | Tyrosine-protein kinase CSK | inhibitor | targets |
| P51692 | STAT5B | Signal transducer and activator of transcription 5B | inhibitor | targets |
| P54756 | EPHA5 | Ephrin type-A receptor 5 | inhibitor | targets |
| P54760 | EPHB4 | Ephrin type-B receptor 4 | inhibitor | targets |
| Q06187 | BTK | Tyrosine-protein kinase BTK | inhibitor | targets |
| Q92570 | NR4A3 | Nuclear receptor subfamily 4 group A member 3 | inhibitor | targets |
| P00519 | ABL1 | Tyrosine-protein kinase ABL1 | multitarget | targets |
| P06239 | LCK | Tyrosine-protein kinase Lck | multitarget | targets |
| P06241 | FYN | Tyrosine-protein kinase Fyn | multitarget | targets |
| P12931 | SRC | Proto-oncogene tyrosine-protein kinase Src | multitarget | targets |
| P42684 | ABL2 | Tyrosine-protein kinase ABL2 | multitarget | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | substrate | transporters |