LOBELINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII D0P25S3P81
EPA CompTox DTXSID3023219

Structure

InChI Key MXYUKLILVYORSK-HBMCJLEFSA-N
Smiles CN1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@H](O)c1ccccc1
InChI
InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H27NO2
Molecular Weight 337.46
AlogP 4.24
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 40.54
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 25.0

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
- 87 - 4-40 -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor beta subunit
- 87 - 4-40 -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor
- 87 - 4-40 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC18 family of vesicular amine transporters
- 381 - 4-470 -
Unclassified protein
- - - 630.96 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Aplysia californica
- - - 2.512 -
Homo sapiens
- - - 5.012 -
Lymnaea stagnalis
- - - 630.96 -
Mus musculus
- 381 - - -
Rattus norvegicus
- - - 4-470 -

Cross References

Resources Reference
ChEBI 48723
ChEMBL CHEMBL122270
DrugBank DB05137
FDA SRS D0P25S3P81
KEGG C07475
PDB L0B
PubChem 101616
SureChEMBL SCHEMBL290803
ZINC ZINC000000001624
CONTENTS