Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001172
Inhibitor ClassAzaspiro-octane
Molecule Name in Refrence Article19 compound
IUPAC Name(6S,7S)-N-hydroxy-6-[(3-phenyl-2,5-dihydro-1H-pyrrol-1-yl)carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
FormulaC19H23N3O3
Mass341.4042
Exact Mass341.1739416
Composition C (66.84%), H (6.79%), N (12.31%), O (14.06%)
Atom Count48
PI8.36
Smiles[C@H]1([C@H](NCC2(C1)CC2)C(=O)N1CC(=CC1)c1ccccc1)C(=O)NO
InChI1S/C19H23N3O3/c23-17(21-25)15-10-19(7-8-19)12-20-16(15)18(24)22-9-6-14(11-22)13-4-2-1-3-5-13/h1-6,15
-16,20,25H,7-12H2,(H,21,23)/t15-,16-/m0/s1
InChIKeyZCDHAHOTIYZFKF-HOTGVXAUSA-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
Reference17256836
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesADAM-10 | MMP-1 | MMP-2 | MMP-3 | MMP-9 | ALL
Pub Chem Link 16108951
Drug Bank Link -
ChemSpider Link 17266368
ChEMBL Link CHEMBL375418
 
TOP