Molecule Details
| InChIKey | KUCKLOIPORVHKG-AATRIKPKSA-N |
|---|---|
| Compound Name | N-[5-[5-[4-[(E)-4-(dimethylamino)but-2-enoyl]piperazine-1-carbonyl]-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide |
| Canonical SMILES | COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(C(=O)/C=C/CN(C)C)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.93 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q08881 | ITK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 7.8 | IC50 | ChEMBL;BindingDB |
| P42681 | TXK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q06187 | BTK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 6.3 | IC50 | ChEMBL |