Molecule Details
| InChIKey | QUDMHFVRKBVGBY-FQEVSTJZSA-N |
|---|---|
| Compound Name | Gsk-812397 |
| Canonical SMILES | CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.02 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P61073 | CXCR4 | Homo sapiens | Human | PF00001 PF12109 | 8.6 | IC50 | ChEMBL;BindingDB |
| P12821 | ACE | Homo sapiens | Human | PF01401 | 6.7 | IC50 | ChEMBL;BindingDB |
| P04578 | env | Human immunodeficiency virus type 1 group M subtype B (isolate HXB2) | Pathogen | PF00516 PF00517 | 8.7 | IC50 | ChEMBL;BindingDB |