Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003425
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article22 compound
IUPAC Name3-(2-chloroethyl)-1-methyl-1-{4-[(3-methylphenyl)amino]quinazolin-6-yl}-3-nitrosourea
FormulaC19H19ClN6O2
Mass398.846
Exact Mass398.1258016
Composition C (57.22%), H (4.8%), Cl (8.89%), N (21.07%), O (8.02%)
Atom Count47
PI9.98
Smilesc1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)C)N(C(=O)N(N=O)CCCl)C
InChI1S/C19H19ClN6O2/c1-13-4-3-5-14(10-13)23-18-16-11-15(6-7-17(16)21-12-22-18)25(2)19(27)26(24-28)9-8-20
/h3-7,10-12H,8-9H2,1-2H3,(H,21,22,23)
InChIKeyNFRDLORGBPIOJT-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
Reference16759097
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 10200918
Drug Bank Link -
ChemSpider Link 8376417
ChEMBL Link CHEMBL209818
 
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