Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004186
Inhibitor ClassTriazine
Molecule Name in Refrence Article3 compound
IUPAC Name2-(piperazin-1-yl)ethyl N-[(7aR)-4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethyl-7aH-pyrrolo[2,3-d]pyrimidin-6-yl]carbamate
FormulaC29H33N9O2
Mass539.6314
Exact Mass539.2757213
Composition C (64.55%), H (6.16%), N (23.36%), O (5.93%)
Atom Count73
PI9.6
SmilesN1=CN=C(C2=C(C(=N[C@@H]12)NC(=O)OCCN1CCNCC1)CC)Nc1cc2c(cc1)n(nc2)Cc1ccccc1
InChI1S/C29H33N9O2/c1-2-23-25-27(34-22-8-9-24-21(16-22)17-33-38(24)18-20-6-4-3-5-7-20)31-19-32-28(25)35-2
6(23)36-29(39)40-15-14-37-12-10-30-11-13-37/h3-9,16-17,19,28,30H,2,10-15,18H2,1H3,(H,31,32,34)(H,35,
36,39)/t28-/m1/s1
InChIKeyOEIFFQPPBJFHDE-MUUNZHRXSA-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
Reference19821562
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 -
Drug Bank Link -
ChemSpider Link 24630399
ChEMBL Link CHEMBL565714
 
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