Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003062
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article18 compound
IUPAC NameN-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
FormulaC30H31ClN6O2S
Mass575.124
Exact Mass574.1917727
Composition C (62.65%), H (5.43%), Cl (6.16%), N (14.61%), O (5.56%), S (5.58%)
Atom Count71
PI11.92
Smilesc1(c(cc2c(c1)c(ncn2)Nc1ccc(cc1)c1nc2c(s1)cc(cc2)Cl)OCCCN1CCN(CC1)C)OC
InChI1S/C30H31ClN6O2S/c1-36-11-13-37(14-12-36)10-3-15-39-27-18-25-23(17-26(27)38-2)29(33-19-32-25)34-22-7
-4-20(5-8-22)30-35-24-9-6-21(31)16-28(24)40-30/h4-9,16-19H,3,10-15H2,1-2H3,(H,32,33,34)
InChIKeyWMBJPWPAQLGSFL-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 enzymesVERFR2 | TIE2 | Aurora A | Aurora B | PDGFR beta | VERFR2 | ALL
Pub Chem Link 46225664
Drug Bank Link -
ChemSpider Link 24645902
ChEMBL Link CHEMBL593275
 
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