Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004156
Inhibitor ClassPyridine
Molecule Name in Refrence Article4p compound
IUPAC Name5-(3,4-dimethoxyphenyl)-4-[(1H-indol-5-yl)amino]pyridine-3-carbonitrile
FormulaC22H18N4O2
Mass370.4039
Exact Mass370.1429758
Composition C (71.34%), H (4.9%), N (15.13%), O (8.64%)
Atom Count46
PI10.33
Smilesc1(cncc(c1Nc1ccc2c(c1)cc[nH]2)C#N)c1ccc(c(c1)OC)OC
InChI1S/C22H18N4O2/c1-27-20-6-3-14(10-21(20)28-2)18-13-24-12-16(11-23)22(18)26-17-4-5-19-15(9-17)7-8-25-1
9/h3-10,12-13,25H,1-2H3,(H,24,26)
InChIKeyKPDRLZMGHJWHQC-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
Reference18783200
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesAkt | BTK | CDK4 | IGFR | IKK | KDR | Lck | Lyn | MK2 | p70 | PDK1 | phosphoinositol-3-kinase | PKA | Plk | Raf | Src | Tpl2 | PKC theta | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23343831
ChEMBL Link CHEMBL492251
 
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