Molecule Details
| InChIKey | XAHMIJCNFUSTMT-UHFFFAOYSA-N |
|---|---|
| Compound Name | 8-(4-(Bis(4-fluorophenyl)methyl)piperazin-1-yl)-5-methyl-7-nitro-6-oxo-5,6-dihydro-1,5-naphthyridine-2-carbonitrile |
| Canonical SMILES | Cn1c(=O)c([N+](=O)[O-])c(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c2nc(C#N)ccc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.34 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O75912 | DGKI | Homo sapiens | Human | PF12796 PF00130 PF00609 PF00781 PF23578 | 8.5 | IC50 | ChEMBL |
| P23743 | DGKA | Homo sapiens | Human | PF00130 PF14513 PF00609 PF00781 | 8.3 | IC50 | ChEMBL |
| Q13574 | DGKZ | Homo sapiens | Human | PF12796 PF00130 PF00609 PF00781 PF23578 | 7.7 | IC50 | ChEMBL;BindingDB |
| P49619 | DGKG | Homo sapiens | Human | PF00130 PF14513 PF00609 PF00781 | 6.2 | IC50 | ChEMBL |
| Q9Y6T7 | DGKB | Homo sapiens | Human | PF00130 PF14513 PF00609 PF00781 PF13499 | 6.0 | IC50 | ChEMBL |