Molecule Details
| InChIKey | DOTRUZSRWNXWJD-ZRDIBKRKSA-N |
|---|---|
| Compound Name | 1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(3-dimethylaminomethyl-1-ethyl-1H-indol-7-ylsulfanyl)-phenyl]-propenone |
| Canonical SMILES | CCn1cc(CN(C)C)c2cccc(Sc3ccc(/C=C/C(=O)N4CCN(C(C)=O)CC4)cc3Cl)c21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.0 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P05107 | ITGB2 | Homo sapiens | Human | PF23105 PF08725 PF07965 PF00362 PF17205 | 7.0 | IC50 | ChEMBL |
| P05362 | ICAM1 | Homo sapiens | Human | PF21146 PF03921 PF13895 | 7.0 | IC50 | ChEMBL |
| P20701 | ITGAL | Homo sapiens | Human | PF01839 PF08441 PF20805 PF00357 PF00092 | 7.0 | IC50 | ChEMBL;BindingDB |