Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001486
Inhibitor ClassPurine
Molecule Name in Refrence Article2 compound
IUPAC Name1-(6-amino-7H-purin-7-yl)-2-(6-amino-8,9-dihydro-7H-purin-7-yl)ethan-1-one
FormulaC12H12N10O
Mass312.2901
Exact Mass312.1195551
Composition C (46.15%), H (3.87%), N (44.85%), O (5.12%)
Atom Count35
PI10.25
Smilesc12c(ncnc1N)NCN2CC(=O)n1c2c(nc1)ncnc2N
InChI1S/C12H12N10O/c13-9-7-11(17-2-15-9)19-4-21(7)1-6(23)22-5-20-12-8(22)10(14)16-3-18-12/h2-3,5H,1,4H2,(
H2,14,16,18)(H3,13,15,17,19)
InChIKeyPJRYYKUSKCZVLQ-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
Reference18524423
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesVEGFR2 | SRC | TIE2 | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link -
ChEMBL Link CHEMBL485246
 
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