LRG

(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid

Created: 2007-10-24
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count1
Bond Count44
Aromatic Bond Count19
2D diagram of LRG
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Chemical Component Summary

Name(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid
Systematic Name (OpenEye OEToolkits)(2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid
FormulaC21 H18 O3
Molecular Weight318.366
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)C(Oc1ccc(cc1)c2ccccc2)Cc3ccccc3
SMILESCACTVS3.341OC(=O)[CH](Cc1ccccc1)Oc2ccc(cc2)c3ccccc3
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)CC(C(=O)O)Oc2ccc(cc2)c3ccccc3
Canonical SMILESCACTVS3.341 OC(=O)[C@H](Cc1ccccc1)Oc2ccc(cc2)c3ccccc3
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(cc1)C[C@@H](C(=O)O)Oc2ccc(cc2)c3ccccc3
InChIInChI1.03 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
InChIKeyInChI1.03 TZTPJJNNACUQQR-FQEVSTJZSA-N

Drug Info: DrugBank

DrugBank IDDB08121 
Name(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid
Groups experimental
Synonyms(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid

Drug Targets

NameTarget SequencePharmacological ActionActions
Peroxisome proliferator-activated receptor gammaMGETLGDSPIDPESDSFTDTLSANISQEMTMVDTEMPFWPTNFGISSVDL...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 11483970
ChEMBL CHEMBL191275