CYTISINE

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Synonyms
Molecule Category Free-form
UNII 53S5U404NU
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key ANJTVLIZGCUXLD-DTWKUNHWSA-N
Smiles O=C1C=CC=C2[C@H]3CNC[C@H](C3)CN12
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 190.24
AlogP -0.34
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 32.34
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 14.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor alpha subunit
- 3530 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Musca domestica
- - - 1230 -
Torpedo nobiliana
- 3530 - - -

Cross References

Resources Reference
ChEMBL CHEMBL497939
FDA SRS 53S5U404NU
PDB C5E
SureChEMBL SCHEMBL161398
CONTENTS