Molecule Details
| InChIKey | RZUOCXOYPYGSKL-GOSISDBHSA-N |
|---|---|
| Compound Name | Ravoxertinib |
| Canonical SMILES | Cn1nccc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.95 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB15281 |
|---|---|
| Drug Name | Ravoxertinib |
| CAS Number | 1453848-26-4 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Ravoxertinib is under investigation in clinical trial NCT01875705 (A Dose-Escalation Study of GDC-0994 in Patients With Locally Advanced or Metastatic Solid Tumors). |
Categories: Antineoplastic Agents Enzyme Inhibitors Protein Kinase Inhibitors Pyridines
Cross-references: BindingDB: 120095 CHEMBL3544964 ChemSpider: 32501977 PDB: 6QB ZINC: ZINC000144904566
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P28482 | MAPK1 | Homo sapiens | Human | PF00069 | 8.5 | IC50 | ChEMBL;BindingDB |
| P27361 | MAPK3 | Homo sapiens | Human | PF00069 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q96NX5 | CAMK1G | Homo sapiens | Human | PF00069 | 6.9 | Kd | ChEMBL |
| Q7L7X3 | TAOK1 | Homo sapiens | Human | PF00069 | 6.6 | Kd | ChEMBL |
| P08581 | MET | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 6.4 | Kd | ChEMBL |
| Q2M2I8 | AAK1 | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL |
| Q6ZSR9 | Homo sapiens | Human | PF15282 | 6.3 | Kd | ChEMBL | |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.2 | Kd | ChEMBL |