Molecule Details
| InChIKey | LNMRSSIMGCDUTP-UHFFFAOYSA-N |
|---|---|
| Compound Name | Pexmetinib |
| Canonical SMILES | Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)NCc2cc(F)ccc2Oc2ccc3c(cnn3CCO)c2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 13 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.74 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB16294 |
|---|---|
| Drug Name | Pexmetinib |
| CAS Number | 945614-12-0 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Pexmetinib is under investigation in clinical trial NCT04074967 (Study of ARRY-614 Plus Either Nivolumab or Ipilimumab). |
Categories: Amides Heterocyclic Compounds, Fused-Ring Pyrazoles
Cross-references: CHEMBL3991932 ChemSpider: 32702049 PDB: A1AWV ZINC: ZINC000041747181
Target Activities (13)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q16539 | MAPK14 | Homo sapiens | Human | PF00069 | 8.4 | IC50 | ChEMBL;BindingDB |
| P49137 | MAPKAPK2 | Homo sapiens | Human | PF00069 | 7.2 | Kd | ChEMBL |
| Q15746 | MYLK | Homo sapiens | Human | PF16620 PF00041 PF07679 PF00069 | 7.1 | Kd | ChEMBL |
| Q15759 | MAPK11 | Homo sapiens | Human | PF00069 | 6.7 | Kd | ChEMBL |
| P53779 | MAPK10 | Homo sapiens | Human | PF00069 | 6.7 | Kd | ChEMBL |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.7 | Kd | ChEMBL |
| O95819 | MAP4K4 | Homo sapiens | Human | PF00780 PF00069 | 6.7 | Kd | ChEMBL |
| P45984 | MAPK9 | Homo sapiens | Human | PF00069 | 6.5 | Kd | ChEMBL |
| P42684 | ABL2 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.5 | Kd | ChEMBL |
| Q08345 | DDR1 | Homo sapiens | Human | PF21114 PF00754 PF07714 | 6.4 | Kd | ChEMBL |
| Q00537 | CDK17 | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL |
| Q9Y572 | RIPK3 | Homo sapiens | Human | PF00069 PF12721 | 6.2 | Kd | ChEMBL |
| P11274 | BCR | Homo sapiens | Human | PF09036 PF00168 PF19057 PF00620 PF00621 | 6.2 | Kd | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q02763 | TEK | Angiopoietin-1 receptor | modulator | targets |