Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002095
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article PP94
IUPAC Name1-cyclopentyl-3-(1H-indol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
FormulaC18H18N6
Mass318.3757
Exact Mass318.1592946
Composition C (67.9%), H (5.7%), N (26.4%)
Atom Count42
PI11.27
Smilesn1cnc2c(c1N)c(nn2C1CCCC1)c1cc2c(cc1)[nH]cc2
InChI1S/C18H18N6/c19-17-15-16(12-5-6-14-11(9-12)7-8-20-14)23-24(13-3-1-2-4-13)18(15)22-10-21-17/h5-10,13,
20H,1-4H2,(H2,19,21,22)
InChIKeyMRCFTWAYZAHAFA-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 24905193
Drug Bank Link -
ChemSpider Link 24605267
ChEMBL Link CHEMBL1242295
 
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