Details of the Drug

General Information of Drug (ID: DM2J8IS)

Drug Name
US8772478, 1
Synonyms SCHEMBL996444; CHEMBL3643908; MVDTXPPSDKEWJP-FQEVSTJZSA-N; BDBM125917; US8772478, 1; (S)-3-(4-benzyloxybenzenesulfonylamino)-N-hydroxy-2-piperidin-1-ylpropionamide
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 433.5
Logarithm of the Partition Coefficient (xlogp) 2.1
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C21H27N3O5S
IUPAC Name
(2S)-N-hydroxy-3-[(4-phenylmethoxyphenyl)sulfonylamino]-2-piperidin-1-ylpropanamide
Canonical SMILES
C1CCN(CC1)[C@@H](CNS(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)NO
InChI
InChI=1S/C21H27N3O5S/c25-21(23-26)20(24-13-5-2-6-14-24)15-22-30(27,28)19-11-9-18(10-12-19)29-16-17-7-3-1-4-8-17/h1,3-4,7-12,20,22,26H,2,5-6,13-16H2,(H,23,25)/t20-/m0/s1
InChIKey
MVDTXPPSDKEWJP-FQEVSTJZSA-N
Cross-matching ID
PubChem CID
49854306
ChEBI ID
CHEMBL3643908
TTD ID
D0O1NA
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
ADAM metallopeptidase 33 (ADAM33) TTQICM2 ADA33_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Benzenesulfonamide compounds, method for synthesizing same, and use thereof in medicine as well as in cosmetics. US8772478.