[3H]9-cis-retinoic acid   Click here for help

GtoPdb Ligand ID: 5383

Synonyms: [3H]-9-cis-retinoic acid
PDB Ligand  Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 37.3
Molecular weight 300.21
XLogP 6.25
No. Lipinski's rules broken 1
Click here for help
Isomeric SMILES C/C(=C/C=C/C(=C/C(=O)O)/C)/C=C/C1=C(C)CCCC1(C)C
InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+
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-α Mm Agonist Full agonist 9.6 pKd - 1
pKd 9.6 (Kd 2.4x10-10 M) [1]
Retinoic acid receptor-β Mm Agonist Full agonist 9.4 pKd - 1
pKd 9.4 (Kd 4x10-10 M) [1]
Retinoic acid receptor-γ Mm Agonist Full agonist 9.2 pKd - 1
pKd 9.2 (Kd 7x10-10 M) [1]
Retinoid X receptor-γ Mm Agonist Full agonist 7.9 pKd - 1
pKd 7.9 (Kd 1.41x10-8 M) [1]
Retinoid X receptor-α Mm Agonist Full agonist 7.8 pKd - 1
pKd 7.8 (Kd 1.57x10-8 M) [1]
Retinoid X receptor-β Mm Agonist Full agonist 7.7 pKd - 1
pKd 7.7 (Kd 1.83x10-8 M) [1]