CYTISINICLINE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 53S5U404NU

Structure
InChI Key ANJTVLIZGCUXLD-DTWKUNHWSA-N
Smile O=c1cccc2n1C[C@@H]1CNC[C@H]2C1
InChI
InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H14N2O
Molecular Weight 190.25
AlogP 0.55
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 34.03
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 14.0

Pharmacology

Action Mechanism of Action Reference
PARTIAL AGONIST Neuronal acetylcholine receptor; alpha4/beta2 partial agonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 10.46
Enzyme Transferase
- - - - -2.316-20.97
Enzyme
- - - - -2.316-20.97
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -0.44-5.47
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor alpha subunit
0.42-38000 50-28000 0.21 0.122-4.2 30-30
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor beta subunit
0.42-38000 50-28000 0.21 0.122-4.2 30-30
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor delta subunit
100000 - - 250 -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor gamma subunit
11 - - 250 -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor
0.42-38000 50-28000 0.21 0.122-4.2 30-30
Structural protein
- - - - 9.53-90
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 106.19

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Smoking Cessation 3 D016540 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 4055
ChEMBL CHEMBL497939
DrugBank DB09028
DrugCentral 5217
EPA CompTox DTXSID00883395
FDA SRS 53S5U404NU
Guide to Pharmacology 5347
PDB C5E
PubChem 10235
SureChEMBL SCHEMBL161398
ZINC ZINC000001599730
CONTENTS