Details of the Drug

General Information of Drug (ID: DMHPITZ)

Drug Name
N-(biphenyl-4-ylsulfonyl)-D-leucine
Synonyms N-(biphenyl-4-ylsulfonyl)-D-leucine; DB07446; (R)-2-(biphenyl-4-ylsulfonamido)-4-methylpentanoic acid; (2R)-4-methyl-2-(4-phenylbenzenesulfonamido)pentanoic 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) 347.4
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C18H21NO4S
IUPAC Name
(2R)-4-methyl-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid
Canonical SMILES
CC(C)C[C@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C18H21NO4S/c1-13(2)12-17(18(20)21)19-24(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,17,19H,12H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKey
FBSVJQQVDISETN-QGZVFWFLSA-N
Cross-matching ID
PubChem CID
25271580
DrugBank ID
DB07446
TTD ID
D06MGJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Matrix metalloproteinase-12 (MMP-12) TTXZ0KQ MMP12_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Matrix metalloproteinase-12 (MMP-12) DTT MMP12 1.22E-106 5.08 3.56
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.