CHEBI:32181 - tamibarotene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name tamibarotene
ChEBI ID CHEBI:32181
Definition A dicarboxylic acid monoamide resulting from the condensation of one of the carboxy groups of terephthalic acid with the amino group of 5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-amine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C22H25NO3
Net Charge 0
Average Mass 351.43884
Monoisotopic Mass 351.183
InChI InChI=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)
InChIKey MUTNCGKQJGXKEM-UHFFFAOYSA-N
SMILES CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12
Roles Classification
Biological Role(s): retinoic acid receptor alpha/beta agonist
Any retinoic acid receptor (RAR) agonist with specificity for RARalpha and RARbeta.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
retinoic acid receptor alpha/beta agonist
Any retinoic acid receptor (RAR) agonist with specificity for RARalpha and RARbeta.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing tamibarotene (CHEBI:32181) has functional parent 4-carbamoylbenzoic acid (CHEBI:50738)
tamibarotene (CHEBI:32181) has functional parent terephthalic acid (CHEBI:15702)
tamibarotene (CHEBI:32181) has role antineoplastic agent (CHEBI:35610)
tamibarotene (CHEBI:32181) has role retinoic acid receptor α/β agonist (CHEBI:50741)
tamibarotene (CHEBI:32181) is a dicarboxylic acid monoamide (CHEBI:35735)
tamibarotene (CHEBI:32181) is a retinoid (CHEBI:26537)
tamibarotene (CHEBI:32181) is a tetralins (CHEBI:36786)
IUPAC Name
4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoic acid
Synonyms Sources
Am 80 KEGG COMPOUND
Am-80 ChEBI
retinobenzoic acid DrugBank
Tamibarotene KEGG COMPOUND
Brand Names Sources
Amnoid DrugBank
Tamibaro DrugBank
Database Links Databases
3580 DrugCentral
A80 PDBeChem
C12864 KEGG COMPOUND
D01418 KEGG DRUG
DB04942 DrugBank
HMDB0015605 HMDB
LSM-5493 LINCS
Tamibarotene Wikipedia
View more database links
Registry Numbers Types Sources
3564473 Beilstein Registry Number Beilstein
3564473 Reaxys Registry Number Reaxys
94497-51-5 CAS Registry Number KEGG COMPOUND
94497-51-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
16531727 PubMed citation Europe PMC
17925887 PubMed citation Europe PMC
19182380 PubMed citation Europe PMC
19389933 PubMed citation Europe PMC
19514122 PubMed citation Europe PMC
22014829 PubMed citation Europe PMC
22863914 PubMed citation Europe PMC
23404745 PubMed citation Europe PMC
25448496 PubMed citation Europe PMC
Last Modified
22 February 2017