Molecule Details
| InChIKey | XKFTZKGMDDZMJI-HSZRJFAPSA-N |
|---|---|
| Compound Name | Danusertib |
| Canonical SMILES | CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 64 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.91 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11778 |
|---|---|
| Drug Name | Danusertib |
| CAS Number | 827318-97-8 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Danusertib has been used in trials studying the treatment of Leukemia. |
Categories: Acids, Carbocyclic Amides Benzene Derivatives Benzoates Protein Kinase Inhibitors
Cross-references: BindingDB: 12985 ChEBI: 94490 CHEMBL402548 ChemSpider: 9617754 PDB: 627 PubChem:11442891 PubChem:347828128 ZINC: ZINC000006718723
Target Activities (64)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O00444 | PLK4 | Homo sapiens | Human | PF00069 PF18190 PF18409 | 8.3 | Kd | ChEMBL |
| P11274 | BCR | Homo sapiens | Human | PF09036 PF00168 PF19057 PF00620 PF00621 | 8.3 | Kd | ChEMBL |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 8.1 | IC50 | ChEMBL;BindingDB |
| P29317 | EPHA2 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 8.1 | Kd | ChEMBL;BindingDB |
| P42684 | ABL2 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 8.0 | Kd | ChEMBL |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 7.9 | IC50 | ChEMBL;BindingDB |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 7.9 | IC50 | ChEMBL |
| P54760 | EPHB4 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 7.8 | Kd | ChEMBL |
| P06241 | FYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.6 | Kd | ChEMBL |
| O75716 | STK16 | Homo sapiens | Human | PF00069 | 7.6 | pIC50 | TTD_MultiTarget |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.6 | pIC50 | TTD_MultiTarget |
| Q9H093 | NUAK2 | Homo sapiens | Human | PF00069 | 7.6 | Kd | ChEMBL |
| Q05397 | PTK2 | Homo sapiens | Human | PF21477 PF00373 PF18038 PF03623 PF07714 | 7.5 | Kd | ChEMBL |
| Q15375 | EPHA7 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 7.4 | Kd | ChEMBL |
| Q13470 | TNK1 | Homo sapiens | Human | PF07714 PF22931 | 7.3 | Kd | ChEMBL |
| Q14289 | PTK2B | Homo sapiens | Human | PF21477 PF00373 PF18038 PF03623 PF07714 | 7.3 | Kd | ChEMBL |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.3 | Kd | ChEMBL |
| P07947 | YES1 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.3 | Kd | ChEMBL |
| Q07912 | TNK2 | Homo sapiens | Human | PF09027 PF11555 PF07714 PF22931 PF14604 | 7.2 | Kd | ChEMBL |
| P11362 | FGFR1 | Homo sapiens | Human | PF07679 PF00047 PF07714 | 7.2 | IC50 | ChEMBL |
| Q9UQB9 | AURKC | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL;BindingDB |
| P29323 | EPHB2 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 7.2 | Kd | ChEMBL |
| Q13131 | PRKAA1 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 7.2 | Kd | ChEMBL |
| P54619 | PRKAG1 | Homo sapiens | Human | PF00571 | 7.1 | Kd | ChEMBL |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 7.1 | IC50 | ChEMBL;BindingDB |
| P54756 | EPHA5 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 7.1 | Kd | ChEMBL |
| Q9UGJ0 | PRKAG2 | Homo sapiens | Human | PF00571 | 7.0 | Kd | ChEMBL |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 7.0 | Kd | ChEMBL |
| P42685 | FRK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.0 | Kd | ChEMBL |
| P18074 | ERCC2 | Homo sapiens | Human | PF06733 PF06777 PF13307 | 6.9 | Kd | ChEMBL |
| P08631 | HCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.9 | Kd | ChEMBL |
| Q08345 | DDR1 | Homo sapiens | Human | PF21114 PF00754 PF07714 | 6.8 | Kd | ChEMBL |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.8 | Kd | ChEMBL |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 6.8 | IC50 | ChEMBL |
| P54764 | EPHA4 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF07647 | 6.8 | Kd | ChEMBL |
| P35916 | FLT4 | Homo sapiens | Human | PF07679 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.8 | IC50 | ChEMBL |
| O15197 | EPHB6 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF07647 | 6.8 | Kd | ChEMBL |
| P54753 | EPHB3 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 6.8 | Kd | ChEMBL |
| Q92918 | MAP4K1 | Homo sapiens | Human | PF00780 PF00069 | 6.7 | Kd | ChEMBL |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.7 | IC50 | ChEMBL |
| Q96L34 | MARK4 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 6.6 | Kd | ChEMBL |
| Q12851 | MAP4K2 | Homo sapiens | Human | PF00780 PF00069 | 6.6 | Kd | ChEMBL |
| P27448 | MARK3 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 6.4 | Kd | ChEMBL |
| Q7KZI7 | MARK2 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 6.4 | Kd | ChEMBL |
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 6.4 | IC50 | ChEMBL |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.4 | IC50 | ChEMBL |
| Q13164 | MAPK7 | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 6.4 | pIC50 | TTD_MultiTarget |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.3 | pIC50 | TTD_MultiTarget |
| P07948 | LYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.3 | Kd | ChEMBL |
| Q13233 | MAP3K1 | Homo sapiens | Human | PF21040 PF00069 PF04434 | 6.3 | Kd | ChEMBL |
| P36896 | ACVR1B | Homo sapiens | Human | PF01064 PF00069 PF08515 | 6.3 | Kd | ChEMBL |
| Q04771 | ACVR1 | Homo sapiens | Human | PF01064 PF07714 PF08515 | 6.3 | Kd | ChEMBL |
| Q96RR4 | CAMKK2 | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL |
| P07332 | FES | Homo sapiens | Human | PF00611 PF07714 PF00017 | 6.2 | Kd | ChEMBL |
| Q13043 | STK4 | Homo sapiens | Human | PF11629 PF00069 | 6.2 | Kd | ChEMBL |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 6.2 | IC50 | ChEMBL |
| P16591 | FER | Homo sapiens | Human | PF00611 PF07714 PF00017 | 6.2 | Kd | ChEMBL |
| P53667 | LIMK1 | Homo sapiens | Human | PF00412 PF00595 PF07714 | 6.2 | Kd | ChEMBL |
| Q9H2G2 | SLK | Homo sapiens | Human | PF00069 PF12474 | 6.1 | IC50 | ChEMBL |
| Q9Y4K4 | MAP4K5 | Homo sapiens | Human | PF00780 PF00069 | 6.1 | Kd | ChEMBL |
| Q16832 | DDR2 | Homo sapiens | Human | PF21114 PF00754 PF07714 | 6.1 | Kd | ChEMBL |
| P37173 | TGFBR2 | Homo sapiens | Human | PF08917 PF07714 | 6.1 | Kd | ChEMBL |
| Q00526 | CDK3 | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL |