Molecule Details
| InChIKey | BWZJBXAPRCVCKQ-UHFFFAOYSA-N |
|---|---|
| Compound Name | (4-(4-(Benzo(b)thiophen-2-yl)pyrimidin-2-ylamino)phenyl)(4-(pyrrolidin-1-yl)piperidin-1-yl)methanone |
| Canonical SMILES | O=C(c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1)N1CCC(N2CCCC2)CC1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.64 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.4 | pIC50 | TTD_MultiTarget |
| O14920 | IKBKB | Homo sapiens | Human | PF18397 PF12179 PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |
| O15111 | CHUK | Homo sapiens | Human | PF18397 PF12179 PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q9Y6K9 | IKBKG | Homo sapiens | Human | PF16516 PF11577 PF18414 | 6.5 | IC50 | ChEMBL |
| O77344 | Plasmodium falciparum (isolate 3D7) | Pathogen | PF00069 | 6.2 | IC50 | ChEMBL;BindingDB |