Molecule Details
| InChIKey | QNUKRWAIZMBVCU-WCIBSUBMSA-N |
|---|---|
| Compound Name | SU 9516 |
| Canonical SMILES | COc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 17 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.04 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB03428 |
|---|---|
| Drug Name | SU9516 |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Heterocyclic Compounds, Fused-Ring
Cross-references: BindingDB: 50503353 CHEMBL258805 ChemSpider: 4451397 PDB: SU9 PubChem:5289419 PubChem:46509014 Therapeutic Targets Database: DNC001389 ZINC: ZINC000014806879
Target Activities (17)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O95067 | CCNB2 | Homo sapiens | Human | PF02984 PF00134 | 7.7 | IC50 | ChEMBL |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q8WWL7 | CCNB3 | Homo sapiens | Human | PF02984 PF00134 | 7.7 | IC50 | ChEMBL |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 7.6 | IC50 | ChEMBL |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 7.6 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 7.6 | IC50 | ChEMBL;BindingDB |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 7.5 | pIC50 | TTD_MultiTarget |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 7.5 | pIC50 | TTD_MultiTarget |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 7.4 | IC50 | ChEMBL |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 7.2 | IC50 | ChEMBL |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.9 | IC50 | ChEMBL |
| Q86UE8 | TLK2 | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 6.0 | IC50 | ChEMBL |
| P51946 | CCNH | Homo sapiens | Human | PF16899 PF00134 | 6.0 | IC50 | ChEMBL;BindingDB |
| P51948 | MNAT1 | Homo sapiens | Human | PF25811 PF06391 PF17121 | 6.0 | IC50 | ChEMBL |