Molecule Details
| InChIKey | LMMJFBMMJUMSJS-UHFFFAOYSA-N |
|---|---|
| Compound Name | Avutometinib |
| Canonical SMILES | CNS(=O)(=O)Nc1nccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.13 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB15254 |
|---|---|
| Drug Name | Avutometinib |
| CAS Number | 946128-88-7 |
| Groups | approved investigational |
| ATC Codes | nan |
| Description | Avutometinib is a small molecule kinase inhibitor targeted against RAF/MEK1, key regulators of the RAS/RAF/MEK/ERK (MAPK) pathway.[L53203,L53198] The MAPK pathway is implicated in variety of cancers, playing a key role in tumor cell proliferation, differentiation and survival.[L53203] It has been un... |
Categories: BCRP/ABCG2 Substrates Benzopyrans Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Heterocyclic Compounds, Fused-Ring Kinase Inhibitor Protein Kinase Inhibitors Pyrans
Cross-references: BindingDB: 50010462 ChEBI: 78825 CHEMBL3264002 ChemSpider: 17623621 PDB: CHU RxCUI: 2714515 Wikipedia: Avutometinib ZINC: ZINC000068247388
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P15056 | BRAF | Homo sapiens | Human | PF00130 PF07714 PF02196 | 8.0 | IC50 | ChEMBL;BindingDB |
| P04049 | RAF1 | Homo sapiens | Human | PF00130 PF07714 PF02196 | 7.2 | IC50 | ChEMBL;BindingDB |
| P36507 | MAP2K2 | Homo sapiens | Human | PF00069 | 7.1 | IC50 | ChEMBL |
| Q02750 | MAP2K1 | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q13233 | MAP3K1 | Homo sapiens | Human | PF21040 PF00069 PF04434 | 6.5 | IC50 | BindingDB |
DrugBank Target Actions (10)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P04049 | RAF1 | RAF proto-oncogene serine/threonine-protein kinase | inhibitor | targets |
| Q02750 | MAP2K1 | Dual specificity mitogen-activated protein kinase kinase 1 | inhibitor | targets |
| P04049 | RAF1 | RAF proto-oncogene serine/threonine-protein kinase | modulator | targets |
| P10398 | ARAF | Serine/threonine-protein kinase A-Raf | modulator | targets |
| P15056 | BRAF | Serine/threonine-protein kinase B-raf | modulator | targets |
| P46821 | MAP1B | Microtubule-associated protein 1B | modulator | targets |
| P78559 | P78559 | Microtubule-associated protein 1A | modulator | targets |
| Q2M3G0 | Q2M3G0 | ATP-binding cassette sub-family B member 5 | substrate | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | substrate | transporters |