Molecule Details
| InChIKey | OUKYUETWWIPKQR-UHFFFAOYSA-N |
|---|---|
| Compound Name | Saracatinib |
| Canonical SMILES | CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 31 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.21 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11805 |
|---|---|
| Drug Name | Saracatinib |
| CAS Number | 379231-04-6 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Saracatinib has been investigated for the treatment of Cancer, Osteosarcoma, Ovarian Cancer, Fallopian Tube Cancer, and Primary Peritoneal Cancer. |
Categories: Antineoplastic Agents Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 Enzyme Inhibitors Dioxoles Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Tyrosine Kinase Inhibitors
Cross-references: BindingDB: 12255 CHEMBL217092 ChemSpider: 8477917 PDB: H8H PubChem:10302451 PubChem:347828152 Wikipedia: Saracatinib ZINC: ZINC000024811973
Target Activities (31)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 9.0 | pIC50 | TTD_MultiTarget |
| O43353 | RIPK2 | Homo sapiens | Human | PF00619 PF07714 | 8.7 | Kd | ChEMBL |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 8.6 | IC50 | ChEMBL;BindingDB |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 8.4 | IC50 | ChEMBL;BindingDB |
| P07947 | YES1 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 8.4 | IC50 | ChEMBL;BindingDB |
| Q04771 | ACVR1 | Homo sapiens | Human | PF01064 PF07714 PF08515 | 8.4 | Kd | ChEMBL |
| P21709 | EPHA1 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 8.0 | Kd | ChEMBL |
| P11274 | BCR | Homo sapiens | Human | PF09036 PF00168 PF19057 PF00620 PF00621 | 7.8 | Kd | ChEMBL |
| O00238 | BMPR1B | Homo sapiens | Human | PF01064 PF07714 PF08515 | 7.5 | Kd | ChEMBL |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 7.5 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.5 | pIC50 | TTD_MultiTarget |
| P36894 | BMPR1A | Homo sapiens | Human | PF01064 PF07714 PF08515 | 7.2 | Kd | ChEMBL |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 7.2 | IC50 | ChEMBL;BindingDB |
| P42684 | ABL2 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 7.0 | Kd | ChEMBL |
| P06241 | FYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.0 | Kd | ChEMBL |
| P08631 | HCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.0 | Kd | ChEMBL |
| O14976 | GAK | Homo sapiens | Human | PF00069 PF10409 | 7.0 | Kd | ChEMBL |
| P07948 | LYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.0 | Kd | ChEMBL |
| Q99640 | PKMYT1 | Homo sapiens | Human | PF00069 | 6.9 | IC50 | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 6.8 | Kd | ChEMBL |
| P36896 | ACVR1B | Homo sapiens | Human | PF01064 PF00069 PF08515 | 6.8 | Kd | ChEMBL |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 6.8 | Kd | ChEMBL |
| P36897 | TGFBR1 | Homo sapiens | Human | PF01064 PF00069 PF08515 | 6.7 | Kd | ChEMBL |
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q8NI60 | COQ8A | Homo sapiens | Human | PF03109 | 6.6 | Kd | ChEMBL |
| P29317 | EPHA2 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 6.3 | Kd | ChEMBL;BindingDB |
| Q13882 | PTK6 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.2 | Kd | ChEMBL |
| P09619 | PDGFRB | Homo sapiens | Human | PF00047 PF13927 PF25305 PF07714 | 6.2 | Kd | ChEMBL |
| P41240 | CSK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.1 | IC50 | ChEMBL;BindingDB |
| P54764 | EPHA4 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF07647 | 6.0 | Kd | ChEMBL |
| P09769 | FGR | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.0 | Kd | ChEMBL |