Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003392
Inhibitor ClassTriazine
Molecule Name in Refrence Article14a compound
IUPAC Name4-[(1,3-benzothiazol-6-yl)amino]-6-[(2-phenylpropan-2-yl)amino]-1,3,5-triazin-2-ol
FormulaC19H18N6OS
Mass378.451
Exact Mass378.1262799
Composition C (60.3%), H (4.79%), N (22.21%), O (4.23%), S (8.47%)
Atom Count45
PI7.25
Smilesc1(nc(nc(n1)O)Nc1cc2scnc2cc1)NC(c1ccccc1)(C)C
InChI1S/C19H18N6OS/c1-19(2,12-6-4-3-5-7-12)25-17-22-16(23-18(26)24-17)21-13-8-9-14-15(10-13)27-11-20-14/h
3-11H,1-2H3,(H3,21,22,23,24,25,26)
InChIKeyBJNCGWGKNWXUIL-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 | FGFR1 | TIE2 | KDR | c-Src | beta-IRK | PDGFR2 | ALL
Pub Chem Link 9951708
Drug Bank Link -
ChemSpider Link 8127319
ChEMBL Link CHEMBL175862
 
TOP