Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003497
Inhibitor ClassBiaryl
Molecule Name in Refrence Article10a compound
IUPAC NameN-cyclopropyl-3-[3-(cyclopropylmethyl)-4-oxo-3,4-dihydro-1,2,3-benzotriazin-7-yl]-4-methylbenzamide
FormulaC22H22N4O2
Mass374.4357
Exact Mass374.174276
Composition C (70.57%), H (5.92%), N (14.96%), O (8.55%)
Atom Count50
PI7.41
Smilesc1(ccc2c(c1)nnn(c2=O)CC1CC1)c1cc(ccc1C)C(=O)NC1CC1
InChI1S/C22H22N4O2/c1-13-2-5-16(21(27)23-17-7-8-17)10-19(13)15-6-9-18-20(11-15)24-25-26(22(18)28)12-14-3-
4-14/h2,5-6,9-11,14,17H,3-4,7-8,12H2,1H3,(H,23,27)
InChIKeyGURGQFBRXVKIQG-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
Reference18789685
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesJNK3 | LCK | CDK2 | cFMS | VEGFR2 | PLK1 | SGK1 | PBMC | HWB | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24718892
ChEMBL Link CHEMBL521734
 
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