Details of the Drug

General Information of Drug (ID: DM16JFS)

Drug Name
(R)-2-(biphenyl-4-sulfonylamino)-propionic acid
Synonyms SCHEMBL4651862; CHEMBL198184; BDBM24034; biphenylsulfonamide carboxylate, 11; (2R)-2-[(4-phenylbenzene)sulfonamido]propanoic acid
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 305.4
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C15H15NO4S
IUPAC Name
(2R)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid
Canonical SMILES
C[C@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C15H15NO4S/c1-11(15(17)18)16-21(19,20)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11,16H,1H3,(H,17,18)/t11-/m1/s1
InChIKey
KXVXZFCETOKHTC-LLVKDONJSA-N
Cross-matching ID
PubChem CID
24901481
TTD ID
D0Y1NM

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Aggrecanase-1 (ADAMTS4) TTYG6BU ATS4_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Synthesis and biological evaluation of biphenylsulfonamide carboxylate aggrecanase-1 inhibitors. Bioorg Med Chem Lett. 2006 Jan 15;16(2):311-6.