Molecule Details
| InChIKey | NDEORODKVUYMFQ-NHCUHLMSSA-N |
|---|---|
| Compound Name | (3R,4R)-N-Cyclohexyl-4-[[5-(2-furanyl)-1,2-dihydro-3-methyl-2-oxo-1,7-naphthyridin-8-yl]amino]-1-methyl-3-piperidinecarboxamide |
| Canonical SMILES | Cc1cc2c(-c3ccco3)cnc(N[C@@H]3CCN(C)C[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.07 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q15059 | BRD3 | Homo sapiens | Human | PF17035 PF00439 | 7.8 | Kd | ChEMBL;BindingDB |
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 7.7 | Kd | ChEMBL;BindingDB |
| P25440 | BRD2 | Homo sapiens | Human | PF17035 PF00439 | 7.7 | Kd | ChEMBL;BindingDB |
| Q58F21 | BRDT | Homo sapiens | Human | PF17035 PF17105 PF00439 | 7.7 | Kd | ChEMBL;BindingDB |
| P21675 | TAF1 | Homo sapiens | Human | PF00439 PF12157 PF09247 PF15288 | 7.3 | Kd | ChEMBL;BindingDB |
| P13500 | CCL2 | Homo sapiens | Human | PF00048 | 6.9 | IC50 | ChEMBL |
| Q8IZX4 | TAF1L | Homo sapiens | Human | PF00439 PF12157 PF09247 PF15288 | 6.4 | Kd | ChEMBL;BindingDB |
| P01375 | TNF | Homo sapiens | Human | PF00229 | 6.1 | IC50 | ChEMBL |
| P21917 | DRD4 | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL |