Chemical Component Summary

Name{3,5-DICHLORO-4-[4-HYDROXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}ACETIC ACID
Synonyms3,5-DICHLORO-4-[(4-HYDROXY-3-ISOPROPYLPHENOXY)PHENYL]ACETIC ACID
Identifiers2-[3,5-bis(chloranyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]ethanoic acid
FormulaC17 H16 Cl2 O4
Molecular Weight355.213
TypeNON-POLYMER
Isomeric SMILESCC(C)c1cc(ccc1O)Oc2c(cc(cc2Cl)CC(=O)O)Cl
InChIInChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)
InChIKeyOZYQIQVPUZANTM-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count0
Bond Count40
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB03176 
NameKB-141
Groups experimental
DescriptionAn anticholesteremic agent.
Synonyms
  • 3,5-dichloro-4-(4-hydroxy-3-isopropylphenoxy)phenylacetic acid
  • KB-141
Categories
  • Acids, Carbocyclic
  • Benzene Derivatives
  • Ethers
  • Ligands
  • Phenols
CAS number219691-94-8

Drug Targets

NameTarget SequencePharmacological ActionActions
Thyroid hormone receptor alphaMEQKPSKVECGSDPEENSARSPDGKRKRKNGQCSLKTSMSGYIPSYLDKD...unknown
Thyroid hormone receptor betaMTPNSMTENGLTAWDKPKHCPDREHDWKLVGMSEACLHRKSHSERRSTLK...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
Pharos CHEMBL41036
PubChem 9863447
ChEMBL CHEMBL41036