Molecule Details
| InChIKey | QNQUCAXGTRFYJH-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-(3-Hydroxy-1-propinyl)-9-trifluoromethylpaullone |
| Canonical SMILES | O=C1Cc2c([nH]c3ccc(C(F)(F)F)cc23)-c2cc(C#CCO)ccc2N1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.52 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O95067 | CCNB2 | Homo sapiens | Human | PF02984 PF00134 | 6.5 | IC50 | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 6.5 | IC50 | ChEMBL |
| Q8WWL7 | CCNB3 | Homo sapiens | Human | PF02984 PF00134 | 6.5 | IC50 | ChEMBL |