Molecule Details
| InChIKey | FJCDSQATIJKQKA-UHFFFAOYSA-N |
|---|---|
| Compound Name | Vactosertib |
| Canonical SMILES | Cc1cccc(-c2[nH]c(CNc3ccccc3F)nc2-c2ccc3ncnn3c2)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.59 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB15310 |
|---|---|
| Drug Name | Vactosertib |
| CAS Number | 1352608-82-2 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Vactosertib is under investigation in clinical trial NCT03724851 (Vactosertib in Combination With Pembrolizumab in Metastatic Colorectal or Gastric Cancer). |
Categories: Amines Enzyme Inhibitors Protein Kinase Inhibitors
Cross-references: BindingDB: 50015639 CHEMBL3260567 ChemSpider: 32813335 PDB: A1D6I ZINC: ZINC000113391423
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P36897 | TGFBR1 | Homo sapiens | Human | PF01064 PF00069 PF08515 | 7.9 | IC50 | ChEMBL;BindingDB |
| P01137 | TGFB1 | Homo sapiens | Human | PF00019 PF00688 | 7.9 | IC50 | ChEMBL |
| P36896 | ACVR1B | Homo sapiens | Human | PF01064 PF00069 PF08515 | 7.9 | IC50 | ChEMBL;BindingDB |
| O43353 | RIPK2 | Homo sapiens | Human | PF00619 PF07714 | 7.3 | IC50 | ChEMBL;BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.0 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P36897 | TGFBR1 | TGF-beta receptor type-1 | modulator | targets |