Molecule Details
| InChIKey | XFGSFWFIJFNGQY-UHFFFAOYSA-N |
|---|---|
| Compound Name | 11-[2-[4-[4-[4-[3-[[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,5-thiadiazol-3-yl]oxy]propyl]piperazin-1-yl]butyl]piperidin-1-yl]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one |
| Canonical SMILES | CN1CC=C(c2nsnc2OCCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.58 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 10.1 | Ki | ChEMBL;BindingDB |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 8.8 | Ki | ChEMBL;BindingDB |
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 8.6 | Ki | ChEMBL;BindingDB |
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 7.9 | Ki | ChEMBL;BindingDB |
| P08912 | CHRM5 | Homo sapiens | Human | PF00001 | 7.5 | Ki | ChEMBL;BindingDB |