LOFEXIDINE HYDROCHLORIDE

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Search structure


Trade Names	LUCEMYRA
Synonyms	Britlofex Lofexidine Lofexidine hcl Lofexidine hydrochloride Lucemyra MDL 14,042 MDL-14042 NSC-759654
Status
Molecule Category	Salt-form
UNII	V47G1SDI1B
EPA CompTox	DTXSID0020781
Parent Compound:	LOFEXIDINE

Structure


InChI Key	DWWHMKBNNNZGHF-UHFFFAOYSA-N
Smiles	CC(Oc1c(Cl)cccc1Cl)C1=NCCN1.Cl
InChI	InChI=1S/C11H12Cl2N2O.ClH/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13;/h2-4,7H,5-6H2,1H3,(H,14,15);1H

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C11H13Cl3N2O
Molecular Weight	295.6
AlogP	2.76
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	33.62
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	16.0

Pharmacology

Mechanism of Action	Action	Reference
Adrenergic receptor alpha-2 agonist	AGONIST	FDA

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 Adrenergic receptor	-	3.6-43	-	-	-

Target Conservation


Protein: Adrenergic receptor alpha-2 Description: Alpha-2A adrenergic receptor Organism : Homo sapiens P08913 ENSG00000150594










Protein: Adrenergic receptor alpha-2 Description: Alpha-2B adrenergic receptor Organism : Homo sapiens P18089 ENSG00000274286











Protein: Adrenergic receptor alpha-2 Description: Alpha-2C adrenergic receptor Organism : Homo sapiens P18825 ENSG00000184160

Cross References

Resources	Reference
ChEMBL	CHEMBL1788132
FDA SRS	V47G1SDI1B
PubChem	30667
SureChEMBL	SCHEMBL124601

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