EcoDrugPlus


Synonyms	Amitifadine DOV 21947 DOV-21,947 DOV-21947 EB1010
Status
Molecule Category	Free-form
UNII	GE0J375F8F


InChI Key	BSMNRYCSBFHEMQ-KCJUWKMLSA-N
Smiles	Clc1ccc([C@]23CNC[C@H]2C3)cc1Cl
InChI	InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2/t8-,11+/m1/s1

Property Name	Value
Molecular Formula	C11H11Cl2N
Molecular Weight	228.12
AlogP	2.85
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	12.03
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	14.0

Mechanism of Action	Action	Reference
Monoamine transporter inhibitor	INHIBITOR	PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family	-	8.6-411.5	-	19.95-147.91	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	12.3-411.5	-	19.95-147.91	-
Rattus norvegicus	-	8.6-260	-	-	-

Resources	Reference
ChEMBL	CHEMBL592374
DrugBank	DB05964
FDA SRS	GE0J375F8F
PubChem	11658655
SureChEMBL	SCHEMBL378242
ZINC	ZINC000000003189

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

AMITIFADINE

Structure

Physicochemical Descriptors

Pharmacology

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