Molecule Details
| InChIKey | SLIFZZITPODXKX-HNNXBMFYSA-N |
|---|---|
| Compound Name | 3-[5-ethyl-2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-7-methylsulfonyl-1H-indole-6-carbonitrile |
| Canonical SMILES | CCc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(S(C)(=O)=O)c(C#N)ccc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.51 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 9.8 | Kd | ChEMBL |
| P51946 | CCNH | Homo sapiens | Human | PF16899 PF00134 | 9.8 | Kd | ChEMBL;BindingDB |
| O75909 | CCNK | Homo sapiens | Human | PF00134 PF21797 | 6.7 | IC50 | ChEMBL |
| Q9NYV4 | CDK12 | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL;BindingDB |
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 6.0 | IC50 | ChEMBL;BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 6.0 | IC50 | ChEMBL |