ANABASEINE

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Search structure


Synonyms	Anabaseine
Status
Molecule Category	Free-form
UNII	DYE103K23I
EPA CompTox	DTXSID50188266

Structure


InChI Key	AUBPMADJYNSPOA-UHFFFAOYSA-N
Smiles	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
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	-	-	-	32-107	-
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor beta subunit	-	-	-	32-107	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	107	-
Rattus norvegicus	-	-	-	32-67	-

Cross References

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

CONTENTS

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025