Molecule Details
| InChIKey | PRUISXHHETXRED-LBPRGKRZSA-N |
|---|---|
| Compound Name | (S)-2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]imidazol-5-yl)-3-methylpiperazin-1-yl)ethanol |
| Canonical SMILES | C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.77 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P41146 | OPRL1 | Homo sapiens | Human | PF00001 | 8.8 | IC50 | ChEMBL;BindingDB |
| P41145 | OPRK1 | Homo sapiens | Human | PF00001 | 8.3 | IC50 | ChEMBL;BindingDB |
| P35372 | OPRM1 | Homo sapiens | Human | PF00001 | 7.4 | IC50 | ChEMBL;BindingDB |
| P41143 | OPRD1 | Homo sapiens | Human | PF00001 | 6.6 | IC50 | ChEMBL;BindingDB |