MAPROTILINE HYDROCHLORIDE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 7C8J54PVFI
EPA CompTox DTXSID2044507
Parent Compound: MAPROTILINE

Structure

InChI Key NZDMFGKECODQRY-UHFFFAOYSA-N
Smiles CNCCCC12CCC(c3ccccc31)c1ccccc12.Cl
InChI
InChI=1S/C20H23N.ClH/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20;/h2-5,7-10,15,21H,6,11-14H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H24ClN
Molecular Weight 313.87
AlogP 4.21
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 12.03
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Mechanism of Action Action Reference
Norepinephrine transporter inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 100.75-108.73
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 100.75-108.73

Target Conservation

Protein: Norepinephrine transporter
Description: Sodium-dependent noradrenaline transporter
Organism : Homo sapiens
P23975 ENSG00000103546

Cross References

Resources Reference
ChEBI 6691
ChEMBL CHEMBL1237135
FDA SRS 7C8J54PVFI
Guide to Pharmacology 2402
KEGG C07107
PubChem 71478
SureChEMBL SCHEMBL121014
ZINC ZINC01530688
CONTENTS