POZANICLINE

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Synonyms
Status
Molecule Category Free-form
UNII CL2002R563
EPA CompTox DTXSID20167149

Structure

InChI Key YRVIKLBSVVNSHF-JTQLQIEISA-N
Smiles Cc1ncccc1OC[C@@H]1CCCN1
InChI
InChI=1S/C11H16N2O/c1-9-11(5-3-6-12-9)14-8-10-4-2-7-13-10/h3,5-6,10,13H,2,4,7-8H2,1H3/t10-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H16N2O
Molecular Weight 192.26
AlogP 1.52
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 34.15
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 14.0

Pharmacology

Mechanism of Action Action Reference
Neuronal acetylcholine receptor; alpha6/beta2 partial agonist PARTIAL AGONIST Wikipedia PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor alpha subunit
- - - 16-39 -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor beta subunit
- - - 16-39 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 16-26 -
Rattus norvegicus
- - - 16.7-39 -

Cross References

Resources Reference
ChEMBL CHEMBL127071
DrugBank DB05458
FDA SRS CL2002R563
PubChem 178052
SureChEMBL SCHEMBL194037
ZINC ZINC000000006562
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