Molecule Details
| InChIKey | BSMCAPRUBJMWDF-KRWDZBQOSA-N |
|---|---|
| Compound Name | Cobimetinib |
| Canonical SMILES | O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.04 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB05239 |
|---|---|
| Drug Name | Cobimetinib |
| CAS Number | 934660-93-2 |
| Groups | approved investigational |
| ATC Codes | L01EE02 |
| Description | Cobimetinib is an orally active, potent and highly selective small molecule inhibiting mitogen-activated protein kinase kinase 1 (MAP2K1 or MEK1), and central components of the RAS/RAF/MEK/ERK signal transduction pathway. It has been approved in Switzerland and the US, in combination with vemurafeni... |
Categories: Antineoplastic Agents Antineoplastic and Immunomodulating Agents Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (strength unknown) Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates (strength unknown) Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Drugs causing inadvertant photosensitivity Kinase Inhibitor MAP Kinase Kinase 1, antagonists & inhibitors Mitogen-activated protein kinase (MEK) inhibitors Narrow Therapeutic Index Drugs OATP1B3 inhibitors P-glycoprotein substrates P-glycoprotein substrates with a Narrow Therapeutic Index Photosensitizing Agents Protein Kinase Inhibitors UGT2B7 Substrates with a Narrow Therapeutic Index UGT2B7 substrates
Cross-references: BindingDB: 50391802 ChEBI: 90851 CHEMBL2146883 ChemSpider: 17349374 Drugs Product Database (DPD): 22695 D10405 PDB: EUI PharmGKB: PA166160044 PubChem:16222096 PubChem:310264856 RxCUI: 1722365 Wikipedia: Cobimetinib ZINC: ZINC000060325170
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P15056 | BRAF | Homo sapiens | Human | PF00130 PF07714 PF02196 | 8.7 | IC50 | ChEMBL |
| Q02750 | MAP2K1 | Homo sapiens | Human | PF00069 | 8.4 | IC50 | ChEMBL;BindingDB |
| P36507 | MAP2K2 | Homo sapiens | Human | PF00069 | 7.7 | IC50 | ChEMBL |
| P61158 | ACTR3 | Homo sapiens | Human | PF00022 | 7.4 | IC50 | ChEMBL |
DrugBank Target Actions (11)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02763 | P02763 | Alpha-1-acid glycoprotein 1 | binder | carriers |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | binder | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P16662 | UGT2B7 | UDP-glucuronosyltransferase 2B7 | substrate | enzymes |
| Q02750 | MAP2K1 | Dual specificity mitogen-activated protein kinase kinase 1 | inhibitor | targets |
| Q9NPD5 | SLCO1B3 | Solute carrier organic anion transporter family member 1B3 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | weak inhibitor | transporters |
| Q9Y6L6 | SLCO1B1 | Solute carrier organic anion transporter family member 1B1 | weak inhibitor | transporters |