Molecule Details
| InChIKey | UQCJNMPNMQFILJ-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1-[3-(4-amino-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-6-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea |
| Canonical SMILES | Nc1ncnc2c1N=C(c1cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c1)CCN2 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.91 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 7.0 | IC50 | ChEMBL;BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 6.9 | pIC50 | TTD_MultiTarget |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 6.8 | IC50 | ChEMBL;BindingDB |