METHOCTRAMINE HYDROCHLORIDE

/static/temp/default.svg Search structure
Synonyms
Molecule Category Salt-form
UNII RLO2T99XT3
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key CDKGGOUDHGSFAF-UHFFFAOYSA-N
Smiles Cl.Cl.Cl.Cl.COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccccc2OC
InChI
InChI=1S/C36H62N4O2.4ClH/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2;;;;/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3;4*1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H66Cl4N4O2
Molecular Weight 728.75
AlogP 7.3
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 29.0
Polar Surface Area 66.58
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 42.0

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 Acetylcholine receptor
- - - 2850-3860 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Drosophila melanogaster
- - - 2850-3860 -

Cross References

Resources Reference
ChEMBL CHEMBL500996
FDA SRS RLO2T99XT3
PubChem 74763969
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