Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001166
Inhibitor ClassAzaspiro-octane
Molecule Name in Refrence Article12 compound
IUPAC Name(6S,7S)-N-hydroxy-6-[(4-phenylpiperidin-1-yl)carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
FormulaC20H27N3O3
Mass357.4467
Exact Mass357.2052417
Composition C (67.2%), H (7.61%), N (11.76%), O (13.43%)
Atom Count53
PI8.36
Smiles[C@H]1([C@H](NCC2(C1)CC2)C(=O)N1CC[C@H](CC1)c1ccccc1)C(=O)NO
InChI1S/C20H27N3O3/c24-18(22-26)16-12-20(8-9-20)13-21-17(16)19(25)23-10-6-15(7-11-23)14-4-2-1-3-5-14/h1-5
,15-17,21,26H,6-13H2,(H,22,24)/t16-,17-/m0/s1
InChIKeyMITLEGOYVUMBJH-IRXDYDNUSA-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
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Reported activity against other enzymesADAM-10 | MMP-1 | MMP-2 | MMP-3 | MMP-9 | ALL
Pub Chem Link 16108940
Drug Bank Link -
ChemSpider Link 17266357
ChEMBL Link CHEMBL219104
 
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