Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002425
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article10 compound
IUPAC Name6-[(2,4-dichlorophenyl)methyl]-4-N-(3-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
FormulaC19H14Cl2FN5
Mass402.252
Exact Mass401.0610291
Composition C (56.73%), H (3.51%), Cl (17.63%), F (4.72%), N (17.41%)
Atom Count41
PI10.23
Smilesc1(nc2c(c(n1)Nc1cc(ccc1)F)cc([nH]2)Cc1ccc(cc1Cl)Cl)N
InChI1S/C19H14Cl2FN5/c20-11-5-4-10(16(21)7-11)6-14-9-15-17(26-19(23)27-18(15)25-14)24-13-3-1-2-12(22)8-13
/h1-5,7-9H,6H2,(H4,23,24,25,26,27)
InChIKeyQUIDZUWCCTZDCX-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
Reference20403700
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesVEGFR1 | PDGFR beta | VEGFR2 | ALL
Pub Chem Link 46886971
Drug Bank Link -
ChemSpider Link 24677055
ChEMBL Link CHEMBL1095131
 
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