Molecule Details
| InChIKey | RDTDWGQDFJPTPD-UHFFFAOYSA-N |
|---|---|
| Compound Name | C-1368 |
| Canonical SMILES | O=C(Nc1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1)C1CC1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.72 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07545 |
|---|---|
| Drug Name | N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50200392 CHEMBL383899 ChemSpider: 7828219 PDB: CC3 PubChem:9549303 PubChem:99444016 ZINC: ZINC000013831338
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 7.4 | IC50 | ChEMBL;BindingDB |
| P06729 | CD2 | Homo sapiens | Human | PF05790 PF07686 | 7.4 | pIC50 | TTD_MultiTarget |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.9 | IC50 | ChEMBL;BindingDB |
| P51813 | BMX | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 | 6.4 | IC50 | ChEMBL;BindingDB |
| P08069 | IGF1R | Homo sapiens | Human | PF00757 PF07714 PF01030 | 6.2 | IC50 | ChEMBL;BindingDB |
| P43405 | SYK | Homo sapiens | Human | PF07714 PF00017 | 6.0 | IC50 | ChEMBL;BindingDB |