LOFEXIDINE

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Synonyms
Status
Molecule Category Free-form
ATC N07BC04
UNII UI82K0T627
EPA CompTox DTXSID7023221

Structure

InChI Key KSMAGQUYOIHWFS-UHFFFAOYSA-N
Smiles CC(Oc1c(Cl)cccc1Cl)C1=NCCN1
InChI
InChI=1S/C11H12Cl2N2O/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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H12Cl2N2O
Molecular Weight 259.14
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

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
1.38-125.89 2.5-660 - 4.365-69.18 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 125.89 -
Other cytosolic protein
- - - 5.623 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
1.38-125.89 - - 4.365-125.89 -
Rattus norvegicus
- - - 5.623 -

Cross References

Resources Reference
ChEBI 51368
ChEMBL CHEMBL17860
DrugBank DB04948
DrugCentral 1593
FDA SRS UI82K0T627
Human Metabolome Database HMDB0015606
Guide to Pharmacology 9868
PharmGKB PA164744510
PubChem 30668
SureChEMBL SCHEMBL48960
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