ABT-126

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Search structure


Synonyms	Abt-126 Nelonicline
Status
Molecule Category	Free-form
UNII	WX8LOM674D

Structure


InChI Key	QZDCYUCETTWCMO-CDFKWJNJSA-N
Smiles	c1ccc(-c2nnc(O[C@@H]3C4CC5C[C@H]3CN(C5)C4)s2)cc1
InChI	InChI=1S/C17H19N3OS/c1-2-4-12(5-3-1)16-18-19-17(22-16)21-15-13-6-11-7-14(15)10-20(8-11)9-13/h1-5,11,13-15H,6-10H2/t11?,13-,14?,15-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C17H19N3OS
Molecular Weight	313.43
AlogP	2.92
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	3.0
Polar Surface Area	38.25
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	22.0

Pharmacology

Mechanism of Action	Action	Reference
Neuronal acetylcholine receptor protein alpha-7 subunit agonist	AGONIST	PubMed DOI

Target Conservation


Protein: Neuronal acetylcholine receptor protein alpha-7 subunit Description: Neuronal acetylcholine receptor subunit alpha-7 Organism : Homo sapiens P36544 ENSG00000175344

Cross References

Resources	Reference
ChEMBL	CHEMBL3545231
FDA SRS	WX8LOM674D
SureChEMBL	SCHEMBL12695541

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