DIANICLINE

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Synonyms
Status
Molecule Category Free-form
UNII Y0SNM34C6O

Structure

InChI Key SUPRUPHAEXPGPF-QWHCGFSZSA-N
Smiles c1cnc2c(c1)O[C@H]1CCN3CC[C@@]1(C2)C3
InChI
InChI=1S/C13H16N2O/c1-2-11-10(14-5-1)8-13-4-7-15(9-13)6-3-12(13)16-11/h1-2,5,12H,3-4,6-9H2/t12-,13+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H16N2O
Molecular Weight 216.28
AlogP 1.48
Hydrogen Bond Acceptor 3.0
Polar Surface Area 25.36
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Mechanism of Action Action Reference
Neuronal acetylcholine receptor; alpha4/beta2 partial agonist PARTIAL 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 CHEMBL187927
DrugBank DB12125
FDA SRS Y0SNM34C6O
PubChem 10176764
SureChEMBL SCHEMBL2354672
ZINC ZINC000003966685
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