Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003458
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article4c compound
IUPAC Name2-methylpropyl N-(4-{7-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl}phenyl)carbamate
FormulaC28H33N7O2
Mass499.6073
Exact Mass499.2695733
Composition C (67.31%), H (6.66%), N (19.62%), O (6.4%)
Atom Count70
PI10.41
Smilesc1(ccc(cc1)N1CCN(CC1)C)c1c2ncc(c3ccc(cc3)NC(=O)OCC(C)C)c(n2nc1)N
InChI1S/C28H33N7O2/c1-19(2)18-37-28(36)32-22-8-4-20(5-9-22)24-16-30-27-25(17-31-35(27)26(24)29)21-6-10-23
(11-7-21)34-14-12-33(3)13-15-34/h4-11,16-17,19H,12-15,18,29H2,1-3H3,(H,32,36)
InChIKeyDAZCBQNFGSWSQG-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
Reference20483608
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesAlk | Cdk2A | c-Met | FGFR3K | IGF1R | Ins1R | Jak1 | Jak2 | Jak3 | PDK1 | PKA | PKB alpha | Syk | Zap70 | TIE2 | Lck | c-AblT315 | c-Abl | KDR | Ret | c-Src | PDGFRa | c-Kit | Hck | ALL
Pub Chem Link 24762205
Drug Bank Link -
ChemSpider Link 24662080
ChEMBL Link CHEMBL1085511
 
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