Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002476
Inhibitor ClassImidazo-pyrazine
Molecule Name in Refrence ArticlePQIP
IUPAC Name1-(2-phenylquinolin-7-yl)-3-[(1s,3s)-3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
FormulaC30H31N7
Mass489.614
Exact Mass489.264094
Composition C (73.59%), H (6.38%), N (20.03%)
Atom Count68
PINo isoelectric point.
SmilesNc1c2n(ccn1)c([C@@H]1C[C@H](N3CCN(C)CC3)C1)nc2c1cc2c(cc1)ccc(n2)c1ccccc1
InChI1S/C30H31N7/c1-35-13-15-36(16-14-35)24-17-23(18-24)30-34-27(28-29(31)32-11-12-37(28)30)22-8-7-21-9-1
0-25(33-26(21)19-22)20-5-3-2-4-6-20/h2-12,19,23-24H,13-18H2,1H3,(H2,31,32)/t23-,24+
InChIKeyPDJARQSWGDDFHH-PSWAGMNNSA-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
Reference20817523
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymes
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23306099
ChEMBL Link CHEMBL249295
 
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