Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002430
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article15 compound
IUPAC Name6-[(2,4-dichlorophenyl)methyl]-4-N-[2-(propan-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
FormulaC22H21Cl2N5
Mass426.342
Exact Mass425.1174011
Composition C (61.98%), H (4.96%), Cl (16.63%), N (16.43%)
Atom Count50
PI10.23
Smilesc1(nc2c(c(n1)Nc1c(cccc1)C(C)C)cc([nH]2)Cc1ccc(cc1Cl)Cl)N
InChI1S/C22H21Cl2N5/c1-12(2)16-5-3-4-6-19(16)27-21-17-11-15(26-20(17)28-22(25)29-21)9-13-7-8-14(23)10-18(
13)24/h3-8,10-12H,9H2,1-2H3,(H4,25,26,27,28,29)
InChIKeyGEWZCPIATCKFBZ-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
Find Similar Compounds
                                   

Reported activity against other enzymesVEGFR2 | VEGFR1 | PDGFR beta | ALL
Pub Chem Link 46887039
Drug Bank Link -
ChemSpider Link 24672757
ChEMBL Link CHEMBL1095776
 
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