tamibarotene   Click here for help

GtoPdb Ligand ID: 2648

Synonyms: AM-80 | AM80 | Amnolake® | retinobenzoic acid
Approved drug PDB Ligand
tamibarotene is an approved drug
Compound class: Synthetic organic
Comment: This compound is a retinoic acid receptor α (RARα) agonist [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 66.4
Molecular weight 351.18
XLogP 5.9
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES O=C(c1ccc(cc1)C(=O)O)Nc1ccc2c(c1)C(C)(C)CCC2(C)C
Isomeric SMILES O=C(c1ccc(cc1)C(=O)O)Nc1ccc2c(c1)C(C)(C)CCC2(C)C
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)
InChI Key MUTNCGKQJGXKEM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoic acid
International Nonproprietary Names Click here for help
INN number INN
7349 tamibarotene
Synonyms Click here for help
AM-80 | AM80 | Amnolake® | retinobenzoic acid
Database Links Click here for help
BindingDB Ligand 50061625
CAS Registry No. 94497-51-5
ChEBI CHEBI:32181
ChEMBL Ligand CHEMBL25202
DrugBank Ligand DB04942
DrugCentral Ligand 3580
GtoPdb PubChem SID 135649930
PubChem CID 108143
RCSB PDB Ligand A80
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Wikipedia Tamibarotene

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Tocris
AM 80
Cat. No. 3507