EMAPUNIL

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Search structure


Synonyms	AC-5216 Emapunil XBD-173 XBD173
Status
Molecule Category	Free-form
UNII	OG837L732J
EPA CompTox	DTXSID40177220

Structure


InChI Key	NBMBIEOUVBHEBM-UHFFFAOYSA-N
Smiles	CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(C)c2cnc(-c3ccccc3)nc21
InChI	InChI=1S/C23H23N5O2/c1-3-27(15-17-10-6-4-7-11-17)20(29)16-28-22-19(26(2)23(28)30)14-24-21(25-22)18-12-8-5-9-13-18/h4-14H,3,15-16H2,1-2H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C23H23N5O2
Molecular Weight	401.47
AlogP	2.85
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	6.0
Polar Surface Area	73.02
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	30.0

Pharmacology

Mechanism of Action	Action	Reference
Translocator protein agonist	AGONIST	PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor	-	-	-	0.2-31.3	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	6.4-31.3	-
Rattus norvegicus	-	-	-	0.2-0.6	-

Target Conservation


Protein: Translocator protein Description: Translocator protein Organism : Homo sapiens P30536 ENSG00000100300

Cross References

Resources	Reference
ChEMBL	CHEMBL513922
DrugBank	DB12666
FDA SRS	OG837L732J
Guide to Pharmacology	8704
SureChEMBL	SCHEMBL4757030
ZINC	ZINC000000602486

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