Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003474
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article13 compound
IUPAC NameN-(3-chlorophenyl)-6-[(1E)-dimethyltriaz-1-en-1-yl]quinazolin-4-amine
FormulaC16H15ClN6
Mass326.784
Exact Mass326.1046722
Composition C (58.81%), H (4.63%), Cl (10.85%), N (25.72%)
Atom Count38
PI9.04
Smilesc1(c2c(ncn1)ccc(/N=N/N(C)C)c2)Nc1cc(Cl)ccc1
InChI1S/C16H15ClN6/c1-23(2)22-21-13-6-7-15-14(9-13)16(19-10-18-15)20-12-5-3-4-11(17)8-12/h3-10H,1-2H3,(H,
18,19,20)/b22-21+
InChIKeyYTSMRZMCUJMHHR-QURGRASLSA-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
Reference13678409
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 10245856
Drug Bank Link -
ChemSpider Link -
ChEMBL Link CHEMBL136491
 
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