ABT-925

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Search structure


Synonyms	A-437203 Abt-925
Status
Molecule Category	Free-form
UNII	E6CKI5C54O
EPA CompTox	DTXSID70176529

Structure


InChI Key	KXVAICSRMHXLJN-UHFFFAOYSA-N
Smiles	CC(C)(C)c1nc(N2CCN(CCCSc3nccc(O)n3)CC2)cc(C(F)(F)F)n1
InChI	InChI=1S/C20H27F3N6OS/c1-19(2,3)17-25-14(20(21,22)23)13-15(26-17)29-10-8-28(9-11-29)7-4-12-31-18-24-6-5-16(30)27-18/h5-6,13H,4,7-12H2,1-3H3,(H,24,27,30)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C20H27F3N6OS
Molecular Weight	456.54
AlogP	3.59
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	78.27
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	31.0

Pharmacology

Mechanism of Action	Action	Reference
Dopamine D3 receptor antagonist	ANTAGONIST	PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor	-	-	-	2.9-351	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	2.9-351	-

Target Conservation


Protein: Dopamine D3 receptor Description: D(3) dopamine receptor Organism : Homo sapiens P35462 ENSG00000151577

Cross References

Resources	Reference
ChEMBL	CHEMBL439338
FDA SRS	E6CKI5C54O
PubChem	71301278
SureChEMBL	SCHEMBL1043144

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