Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003057
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article13 compound
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
FormulaC31H34N6O3S
Mass570.705
Exact Mass570.2413097
Composition C (65.24%), H (6%), N (14.73%), O (8.41%), S (5.62%)
Atom Count75
PI11.75
Smilesc1(c(cc2c(c1)c(ncn2)Nc1ccc(c(c1)OC)c1nc2c(s1)cccc2)OCCCN1CCN(CC1)C)OC
InChI1S/C31H34N6O3S/c1-36-12-14-37(15-13-36)11-6-16-40-28-19-25-23(18-27(28)39-3)30(33-20-32-25)34-21-9-1
0-22(26(17-21)38-2)31-35-24-7-4-5-8-29(24)41-31/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)
InChIKeyUJBJAMOSBBJZBK-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
Reference19692247
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesTIE2 | Aurora A | VERFR2 | PDGFR beta | Aurora B | VERFR2 | ALL
Pub Chem Link 46225657
Drug Bank Link -
ChemSpider Link 24646427
ChEMBL Link CHEMBL593860
 
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