Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003206
Inhibitor ClassPhthalazine
Molecule Name in Refrence Article3 compound
IUPAC NameN-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide
FormulaC19H16ClN3O
Mass337.803
Exact Mass337.0981899
Composition C (67.56%), H (4.77%), Cl (10.5%), N (12.44%), O (4.74%)
Atom Count40
PI8.46
SmilesClc1ccc(cc1)NC(=O)c1c(cccc1)NCc1ccncc1
InChI1S/C19H16ClN3O/c20-15-5-7-16(8-6-15)23-19(24)17-3-1-2-4-18(17)22-13-14-9-11-21-12-10-14/h1-12,22H,13
H2,(H,23,24)
InChIKeyGGPZCOONYBPZEW-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
Reference12941313
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesCDK1 | c-Met | IGF1R | PKA | Flt1 | KDR | c-Kit | c-Src | EGFR | ALL
Pub Chem Link 9797919
Drug Bank Link DB07288
ChemSpider Link 7973685
ChEMBL Link CHEMBL101683
 
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