Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001143
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article6c compound
IUPAC Name3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[4-(diethylamino)butyl]amino}pyrido[2,3-d]pyrimidin-7-yl]urea
FormulaC26H35Cl2N7O
Mass532.508
Exact Mass531.2280142
Composition C (58.64%), H (6.62%), Cl (13.32%), N (18.41%), O (3%)
Atom Count71
PI10.88
Smilesc12c(nc(nc1)NCCCCN(CC)CC)nc(c(c2)c1c(cccc1Cl)Cl)NC(=O)NC(C)(C)C
InChI1S/C26H35Cl2N7O/c1-6-35(7-2)14-9-8-13-29-24-30-16-17-15-18(21-19(27)11-10-12-20(21)28)23(31-22(17)32
-24)33-25(36)34-26(3,4)5/h10-12,15-16H,6-9,13-14H2,1-5H3,(H3,29,30,31,32,33,34,36)
InChIKeyMKVMEJKNLUWFSQ-UHFFFAOYSA-N
2D Structure
Structure Backbone
View Structure in JmolClick to view 3 d structure                            Download Mol File
Drug Like PropertyDruglikeliness
Symmetry & GeometrySymmetry And Geometrical Information
Activity & Binding Activity against isoform and covalant binding information
Topological PropertiesDescriptors
Reference9240345 | 9599227 | 11384237 |
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesFGFr | PDGFr | FGFr | ALL
Pub Chem Link 5328135
Drug Bank Link -
ChemSpider Link 4485302
ChEMBL Link CHEMBL45827
 
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