Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003933
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article6 compound
IUPAC Name6-phenyl-N-[(1S)-1-phenylethyl]-1H-pyrrolo[2,3-d]pyrimidin-4-amine
FormulaC20H18N4
Mass314.3837
Exact Mass314.1531466
Composition C (76.41%), H (5.77%), N (17.82%)
Atom Count42
PI7.3
Smiles[nH]1cnc(c2cc(nc12)c1ccccc1)N[C@H](c1ccccc1)C
InChI1S/C20H18N4/c1-14(15-8-4-2-5-9-15)23-19-17-12-18(16-10-6-3-7-11-16)24-20(17)22-13-21-19/h2-14H,1H3,(
H2,21,22,23,24)/t14-/m0/s1
InChIKeyZAKMPELDDUIRHT-AWEZNQCLSA-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
Reference11520212
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 23189228
ChEMBL Link CHEMBL105053
 
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