Molecule Details
| InChIKey | QULDDKSCVCJTPV-UHFFFAOYSA-N |
|---|---|
| Compound Name | (6-Chloro-9-(4-methoxy-3,5-dimethylpyridin-2-ylmethyl)-9H-purin-2-yl)amine |
| Canonical SMILES | COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.28 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12359 |
|---|---|
| Drug Name | BIIB021 |
| CAS Number | 848695-25-0 |
| Groups | investigational |
| ATC Codes | nan |
| Description | BIIB021 has been investigated for the treatment of Tumors and Lymphoma. |
Categories: HSP90 Heat-Shock Proteins, antagonists & inhibitors Heterocyclic Compounds, Fused-Ring Purines
Cross-references: BindingDB: 20800 ChEBI: 90687 CHEMBL467399 ChemSpider: 10630347 PDB: 94M PubChem:16736529 PubChem:347828612 ZINC: ZINC000014974583
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08238 | HSP90AB1 | Homo sapiens | Human | PF13589 PF00183 | 7.8 | IC50 | ChEMBL;BindingDB |
| P07900 | HSP90AA1 | Homo sapiens | Human | PF13589 PF00183 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q12931 | TRAP1 | Homo sapiens | Human | PF13589 PF00183 | 7.0 | IC50 | ChEMBL;BindingDB |
| P14625 | HSP90B1 | Homo sapiens | Human | PF13589 PF00183 | 6.8 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P07900 | HSP90AA1 | Heat shock protein HSP 90-alpha | inhibitor | targets |