[3H]nicotinic acid   Click here for help

GtoPdb Ligand ID: 1594

Synonyms: [3H]-nicotinic acid
PDB Ligand  Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 50.19
Molecular weight 123.03
XLogP 0.39
No. Lipinski's rules broken 0
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Canonical SMILES OC(=O)c1cccnc1
Isomeric SMILES OC(=O)c1cccnc1
InChI InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
HCA2 receptor Hs Agonist Full agonist 7.0 – 7.3 pKd - 1-3
pKd 7.0 – 7.3 (Kd 1x10-7 – 5.01x10-8 M) [1-3]