Molecule Details
| InChIKey | NLSNSCBPWXRRPL-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1-[4-(Pyrrolidin-1-ylmethyl)phenyl]-3-[4-[3-(trifluoromethyl)anilino]quinazolin-6-yl]urea |
| Canonical SMILES | O=C(Nc1ccc(CN2CCCC2)cc1)Nc1ccc2ncnc(Nc3cccc(C(F)(F)F)c3)c2c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.52 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 8.4 | IC50 | ChEMBL;BindingDB |
| P04626 | ERBB2 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 7.9 | IC50 | BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.2 | IC50 | ChEMBL;BindingDB |