DIANICLINE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: Y0SNM34C6O

Structure
InChI Key SUPRUPHAEXPGPF-QWHCGFSZSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 25.36
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Tobacco Use Disorder 3 D014029 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 292634-27-6
ChEMBL CHEMBL187927
DrugBank DB12125
FDA SRS Y0SNM34C6O
PubChem 10176764
SureChEMBL SCHEMBL2354672
ZINC ZINC000003966685
CONTENTS