TTNPB   Click here for help

GtoPdb Ligand ID: 2646

Synonyms: arotinoid acid
PDB Ligand
Compound class: Synthetic organic
Comment: TTNPB is a retinoic acid analogue. Like retinoic acid it is a selective RAR agonist. Synthetic polyaromatic retinoid compounds like TTNPB are known collectively as arotinoids.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 37.3
Molecular weight 348.21
XLogP 7.96
No. Lipinski's rules broken 1
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Canonical SMILES CC(=Cc1ccc(cc1)C(=O)O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Isomeric SMILES C/C(=C\c1ccc(cc1)C(=O)O)/c1ccc2c(c1)C(C)(C)CCC2(C)C
InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
Selectivity at nuclear hormone receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
Retinoic acid receptor-β Hs Agonist Agonist 8.0 pIC50 - 1-4
pIC50 8.0 [1-4]
Retinoic acid receptor-γ Hs Agonist Agonist 7.8 pIC50 - 1-2
pIC50 7.8 [1-2]
Retinoic acid receptor-α Hs Agonist Agonist 7.4 pIC50 - 1-4
pIC50 7.4 [1-4]
Ligand mentioned in the following text fields