ANABASEINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: DYE103K23I

Structure
InChI Key AUBPMADJYNSPOA-UHFFFAOYSA-N
Smile c1cncc(C2=NCCCC2)c1
InChI
InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8H,1-2,5,7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12N2
Molecular Weight 160.22
AlogP 2.05
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 25.25
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 12.0

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
4200 - - 32-58 -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor beta subunit
4200 - - 32-67 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Schizophrenia 2 D012559 ClinicalTrials

Cross References

Resources Reference
ChEBI 80787
ChEMBL CHEMBL1230982
EPA CompTox DTXSID50188266
FDA SRS DYE103K23I
KEGG C16906
PDB AN4
PubChem 18985
SureChEMBL SCHEMBL261062
ZINC ZINC000014722833
CONTENTS