Details of the Drug

General Information of Drug (ID: DM73TPQ)

Drug Name
(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid
Synonyms
LT175; (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid; 862901-87-9; CHEMBL191275; LRG; (2S)-3-phenyl-2-(4-phenylphenoxy)propanoic Acid; SCHEMBL20553479; BDBM28759; SYN5198; AOB2972; MolPort-039-138-772; ZINC13671695; LT 175; DB08121; LT175 (S-1); NCGC00402292-03
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): 1 Molecular Weight (mw) 318.4
Logarithm of the Partition Coefficient (xlogp) 5.1
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C21H18O3
IUPAC Name
(2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid
Canonical SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)O)OC2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m0/s1
InChIKey
TZTPJJNNACUQQR-FQEVSTJZSA-N
Cross-matching ID
PubChem CID
11483970
DrugBank ID
DB08121
TTD ID
D06MDX

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Peroxisome proliferator-activated receptor gamma (PPAR-gamma) TTZMAO3 PPARG_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
Peroxisome proliferator-activated receptor gamma (PPAR-gamma) DTT PPARG 2.41E-01 -0.06 -0.25
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.