Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003160
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article4 compound
IUPAC Name4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[4-(4-methylpiperazin-1-yl)but-1-yn-1-yl]quinoline-3-carbonitrile
FormulaC27H27Cl2N5O2
Mass524.442
Exact Mass523.1541805
Composition C (61.84%), H (5.19%), Cl (13.52%), N (13.35%), O (6.1%)
Atom Count63
PI11.83
SmilesN1(CCN(CC1)C)CCC#Cc1c(cc2c(c1)ncc(c2Nc1cc(c(cc1Cl)Cl)OC)C#N)OC
InChI1S/C27H27Cl2N5O2/c1-33-8-10-34(11-9-33)7-5-4-6-18-12-23-20(13-25(18)35-2)27(19(16-30)17-31-23)32-24-
15-26(36-3)22(29)14-21(24)28/h12-15,17H,5,7-11H2,1-3H3,(H,31,32)
InChIKeyZJDFSJYCAFMEGH-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
Reference17188862
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesAKT | CDK4 | IGFR | KDR | PDK1 | Src | ALL
Pub Chem Link 11656591
Drug Bank Link -
ChemSpider Link 9831329
ChEMBL Link CHEMBL391738
 
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