Molecule Details
| InChIKey | JRNXAQINDCOHGS-CBINBANVSA-N |
|---|---|
| Compound Name | [4-amino-2-[[(2S)-2-bicyclo[2.2.1]heptanyl]amino]-1,3-thiazol-5-yl]-(2-nitrophenyl)methanone |
| Canonical SMILES | Nc1nc(N[C@H]2CC3CCC2C3)sc1C(=O)c1ccccc1[N+](=O)[O-] |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 13 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.08 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (13)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 8.3 | IC50 | ChEMBL |
| O60583 | CCNT2 | Homo sapiens | Human | PF00134 PF21797 | 8.3 | IC50 | ChEMBL |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 8.3 | IC50 | ChEMBL |
| O95067 | CCNB2 | Homo sapiens | Human | PF02984 PF00134 | 6.9 | IC50 | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 6.9 | IC50 | ChEMBL |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 6.9 | IC50 | ChEMBL |
| Q8WWL7 | CCNB3 | Homo sapiens | Human | PF02984 PF00134 | 6.9 | IC50 | ChEMBL |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 6.8 | IC50 | ChEMBL |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 6.6 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.6 | IC50 | ChEMBL |
| P78396 | CCNA1 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 6.6 | IC50 | ChEMBL |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL |