Molecule Details
| InChIKey | IUCBKFYHAZXUSO-KMFMINBZSA-N |
|---|---|
| Compound Name | tert-butyl (3R,4S)-4-[[8-[[(1S)-2,2-difluorocyclopentyl]amino]-6-(difluoromethyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-3-methylpiperidine-1-carboxylate |
| Canonical SMILES | C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1ncc2cc(C(F)F)nc(N[C@H]3CCCC3(F)F)c2n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.74 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 8.4 | IC50 | BindingDB |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 8.1 | IC50 | BindingDB |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 7.8 | IC50 | BindingDB |
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 6.7 | IC50 | BindingDB |