Chemical Component Summary

Name4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoic acid
Identifiers4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoic acid
FormulaC22 H25 N O3
Molecular Weight351.439
TypeNON-POLYMER
Isomeric SMILESCC1(CCC(c2c1ccc(c2)NC(=O)c3ccc(cc3)C(=O)O)(C)C)C
InChIInChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
InChIKeyMUTNCGKQJGXKEM-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count0
Bond Count53
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB04942 
NameTamibarotene
Groups investigational
DescriptionTamibarotene is a novel synthetic retinoid for acute promyelocytic leukaemia (APL). Tamibarotene is currently approved in Japan for treatment of recurrent APL, and is undergoing clinical trials in the United States.
Synonyms
  • Tamibarotene
  • retinobenzoic acid
IndicationInvestigated for use/treatment in leukemia (unspecified).
Categories
  • Acids, Carbocyclic
  • Benzene Derivatives
  • Naphthalenes
CAS number94497-51-5

Drug Targets

NameTarget SequencePharmacological ActionActions
Retinoic acid receptor alphaMASNSSSCPTPGGGHLNGYPVPPYAFFFPPMLGGLSPPGALTTLQHQLPV...unknownagonist
Retinoic acid receptor betaMTTSGHACPVPAVNGHMTHYPATPYPLLFPPVIGGLSLPPLHGLHGHPPP...unknownagonist
Cellular retinoic acid-binding protein 1MPNFAGTWKMRSSENFDELLKALGVNAMLRKVAVAAASKPHVEIRQDGDQ...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 CHEMBL25202
PubChem 108143
ChEMBL CHEMBL25202
ChEBI CHEBI:32181