TEBANICLINE TOSYLATE

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Synonyms
Status
Molecule Category Salt-form
UNII CP1A26546Z

Structure

InChI Key JCPWIGCGJUGLJQ-OGFXRTJISA-N
Smiles Cc1ccc(S(=O)(=O)O)cc1.Clc1ccc(OC[C@H]2CCN2)cn1
InChI
InChI=1S/C9H11ClN2O.C7H8O3S/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,5,7,11H,3-4,6H2;2-5H,1H3,(H,8,9,10)/t7-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H19ClN2O4S
Molecular Weight 370.86
AlogP 1.48
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 13.0

Pharmacology

Mechanism of Action Action Reference
Neuronal acetylcholine receptor; alpha4/beta2 agonist AGONIST PubMed

Target Conservation

Protein: Neuronal acetylcholine receptor; alpha4/beta2
Description: Neuronal acetylcholine receptor subunit beta-2
Organism : Homo sapiens
P17787 ENSG00000160716
Protein: Neuronal acetylcholine receptor; alpha4/beta2
Description: Neuronal acetylcholine receptor subunit alpha-4
Organism : Homo sapiens
P43681 ENSG00000101204

Cross References

Resources Reference
ChEMBL CHEMBL2104964
FDA SRS CP1A26546Z
PubChem 9907432
SureChEMBL SCHEMBL7417623
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