Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003391
Inhibitor ClassTriazine
Molecule Name in Refrence Article5 compound
IUPAC Name2-N-(1,3-benzothiazol-6-yl)-4-N-hydroxy-6-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine
FormulaC19H19N7OS
Mass393.465
Exact Mass393.137179
Composition C (58%), H (4.87%), N (24.92%), O (4.07%), S (8.15%)
Atom Count47
PI8.58
Smilesc1(nc(nc(n1)NO)Nc1cc2scnc2cc1)NC(c1ccccc1)(C)C
InChI1S/C19H19N7OS/c1-19(2,12-6-4-3-5-7-12)25-17-22-16(23-18(24-17)26-27)21-13-8-9-14-15(10-13)28-11-20-1
4/h3-11,27H,1-2H3,(H3,21,22,23,24,25,26)
InChIKeyDOXJXXFTEWRETQ-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
Reference15771417
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymescFMS | c-Src | FGFR1 | PDGFR2 | KDR | alpha-IRK | TIE2 | ALL
Pub Chem Link 10249989
Drug Bank Link -
ChemSpider Link 8425475
ChEMBL Link CHEMBL177298
 
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