Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004161
Inhibitor ClassUnknown
Molecule Name in Refrence ArticleHTS07491
IUPAC Name(4S)-6-amino-4-(2H-1,3-benzodioxol-5-yl)-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
FormulaC15H12N4O3
Mass296.2808
Exact Mass296.0909403
Composition C (60.81%), H (4.08%), N (18.91%), O (16.2%)
Atom Count34
PI7.16
Smiles[C@H]1(c2c(OC(=C1C#N)N)[nH]nc2C)c1cc2c(cc1)OCO2
InChI1S/C15H12N4O3/c1-7-12-13(8-2-3-10-11(4-8)21-6-20-10)9(5-16)14(17)22-15(12)19-18-7/h2-4,13H,6,17H2,1H
3,(H,18,19)/t13-/m0/s1
InChIKeyWUWJNENIKBUUEP-ZDUSSCGKSA-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
Reference19170633
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 670940
Drug Bank Link -
ChemSpider Link 584091
ChEMBL Link -
 
TOP