Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002102
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP112
IUPAC Name1-cyclopentyl-3-(quinolin-6-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
FormulaC19H18N6
Mass330.3864
Exact Mass330.1592946
Composition C (69.07%), H (5.49%), N (25.44%)
Atom Count43
PI13.13
Smilesn1cnc2c(c1N)c(nn2C1CCCC1)c1cc2c(cc1)nccc2
InChI1S/C19H18N6/c20-18-16-17(13-7-8-15-12(10-13)4-3-9-21-15)24-25(14-5-1-2-6-14)19(16)23-11-22-18/h3-4,7
-11,14H,1-2,5-6H2,(H2,20,22,23)
InChIKeyDBZCDBKTCUKQPQ-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
Reference18849971
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 24905205
Drug Bank Link -
ChemSpider Link 24605254
ChEMBL Link CHEMBL1241681
 
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