Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001789
Inhibitor ClassThieno-pyrimidine
Molecule Name in Refrence Article11 compound
IUPAC Name1-N-phenyl-4-N-{6-phenylthieno[3,2-d]pyrimidin-4-yl}benzene-1,4-diamine
FormulaC24H18N4S
Mass394.492
Exact Mass394.1252173
Composition C (73.07%), H (4.6%), N (14.2%), S (8.13%)
Atom Count47
PI9.31
Smilesc12sc(cc2ncnc1Nc1ccc(Nc2ccccc2)cc1)c1ccccc1
InChI1S/C24H18N4S/c1-3-7-17(8-4-1)22-15-21-23(29-22)24(26-16-25-21)28-20-13-11-19(12-14-20)27-18-9-5-2-6-
10-18/h1-16,27H,(H,25,26,28)
InChIKeyUCQZRLSOCWARHI-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
Reference14684289
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesVEGFR |
Pub Chem Link 18382971
Drug Bank Link -
ChemSpider Link 13367579
ChEMBL Link CHEMBL310724
 
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