PENTOLINIUM TARTRATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 953357GACY

Structure

InChI Key HSMKTIKKPMTUQH-WBPXWQEISA-L
Smiles C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.O=C([O-])[C@H](O)[C@@H](O)C(=O)O.O=C([O-])[C@H](O)[C@@H](O)C(=O)O
InChI
InChI=1S/C15H32N2.2C4H6O6/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17;2*5-1(3(7)8)2(6)4(9)10/h3-15H2,1-2H3;2*1-2,5-6H,(H,7,8)(H,9,10)/q+2;;/p-2/t;2*1-,2-/m.11/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H42N2O12
Molecular Weight 538.59
AlogP 2.64
Number of Rotational Bond 6.0
Heavy Atoms 17.0

Pharmacology

Mechanism of Action Action Reference
Neuronal acetylcholine receptor; alpha3/beta4 antagonist ANTAGONIST PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 91.93-116.66
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 91.93-116.66

Target Conservation

Protein: Neuronal acetylcholine receptor; alpha3/beta4
Description: Neuronal acetylcholine receptor subunit beta-4
Organism : Homo sapiens
P30926 ENSG00000117971
Protein: Neuronal acetylcholine receptor; alpha3/beta4
Description: Neuronal acetylcholine receptor subunit alpha-3
Organism : Homo sapiens
P32297 ENSG00000080644

Cross References

Resources Reference
ChEBI 55326
ChEMBL CHEMBL1318287
FDA SRS 953357GACY
PubChem 5849
SureChEMBL SCHEMBL309647
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