Molecule Details
| InChIKey | NXQKSXLFSAEQCZ-SFHVURJKSA-N |
|---|---|
| Canonical SMILES | C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.68 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB15569 |
|---|---|
| Drug Name | Sotorasib |
| CAS Number | 2252403-56-6 |
| Groups | approved investigational |
| ATC Codes | L01XX73 |
| Description | Sotorasib, also known as AMG-510, is an acrylamide-derived KRAS inhibitor developed by Amgen.[A187547,A187556] It is indicated in the treatment of adult patients with KRAS G12C mutant non-small cell lung cancer.[L34288] This mutation makes up >50% of all KRAS mutations.[A187550] Mutant KRAS discover... |
Categories: Antineoplastic Agents Antineoplastic Agents, Immunological Antineoplastic and Immunomodulating Agents BCRP/ABCG2 Inhibitors Cytochrome P-450 CYP2B6 Inducers Cytochrome P-450 CYP2B6 Inducers (strength unknown) Cytochrome P-450 CYP2C8 Inducers Cytochrome P-450 CYP2C8 Inducers (strength unknown) Cytochrome P-450 CYP2C9 Inducers Cytochrome P-450 CYP2C9 Inducers (strength unknown) Cytochrome P-450 CYP3A Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Substrates Immune Checkpoint Inhibitors P-glycoprotein inhibitors RAS GTPase Inhibitors
Cross-references: BindingDB: 50514402 ChEBI: 178199 CHEMBL4535757 ChemSpider: 72380148 Drugs Product Database (DPD): 23653 D12055 RxCUI: 2550714 Wikipedia: Sotorasib
Target Activities (2)
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P10632 | CYP2C8 | Cytochrome P450 2C8 | inducer | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | inducer | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | inducer | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A Subfamily | substrate | enzymes |
| P01116 | KRAS | GTPase KRas | inhibitor | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | inhibitor | transporters |