EcoDrugPlus


Synonyms	Alpidem SL 80.0342-00 SL-80.0342-00
Status
Molecule Category	Free-form
UNII	I93SC245QZ
EPA CompTox	DTXSID8049046

Datasets:

Active Pharmaceutical Ingredients

Bioactive chemicals

Agrochemicals

Human Metabolites

Search:

Exact

Similarity

SubStructure

Threshold (%) >= 70


InChI Key	JRTIDHTUMYMPRU-UHFFFAOYSA-N
Smiles	CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12
InChI	InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C21H23Cl2N3O
Molecular Weight	404.34
AlogP	5.5
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	7.0
Polar Surface Area	37.61
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	27.0

Mechanism of Action	Action	Reference
Translocator protein partial agonist	PARTIAL AGONIST	PubMed PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Ligand-gated ion channel GABA-A receptor	-	26-28	-	-	28
Membrane receptor	-	7-7.9	-	0.5-7	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	7.9-26	-	0.5	-
Rattus norvegicus	-	7.9-26	-	0.5-7	0

Target Conservation


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

Cross References

Resources	Reference
ChEBI	135649
ChEMBL	CHEMBL54349
DrugCentral	134
FDA SRS	I93SC245QZ
PubChem	54897
SureChEMBL	SCHEMBL122619
ZINC	ZINC000000599598

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

ALPIDEM

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References