Molecule Details
| InChIKey | SNHCRNMVYDHVDT-UHFFFAOYSA-N |
|---|---|
| Compound Name | Verubulin |
| Canonical SMILES | COc1ccc(N(C)c2nc(C)nc3ccccc23)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.29 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB05585 |
|---|---|
| Drug Name | Verubulin |
| CAS Number | 827031-83-4 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Antineoplastic; a small-molecule inhibitor of microtubule formation that is not a substrate for multidrug resistance pumps. |
Categories: Heterocyclic Compounds, Fused-Ring
Cross-references: CHEMBL492399 ChemSpider: 9589686 PDB: 88U ZINC: ZINC000035978229
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 8.6 | IC50 | ChEMBL;BindingDB |
| P09619 | PDGFRB | Homo sapiens | Human | PF00047 PF13927 PF25305 PF07714 | 8.2 | IC50 | ChEMBL;BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 8.1 | IC50 | ChEMBL;BindingDB |