Details of the Drug | DrugMAP

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
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 TTD ID D0O1NA

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]

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Molecular Interaction Atlas (MIA)

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References

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