Molecule Details
| InChIKey | VNEZLWWMNFSDNW-UHFFFAOYSA-N |
|---|---|
| Compound Name | 8-((6-Bromobenzo[d][1,3]dioxol-5-yl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine |
| Canonical SMILES | C#CCCCn1c(Sc2cc3c(cc2Br)OCO3)nc2c(N)ncnc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.51 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07900 | HSP90AA1 | Homo sapiens | Human | PF13589 PF00183 | 6.5 | IC50 | ChEMBL;BindingDB |
| P08238 | HSP90AB1 | Homo sapiens | Human | PF13589 PF00183 | 6.5 | IC50 | ChEMBL;BindingDB |
| P04626 | ERBB2 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.5 | IC50 | ChEMBL;BindingDB |