MAPROTILINE

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Synonyms
Status
Molecule Category Free-form
ATC N06AA21
UNII 2U1W68TROF
EPA CompTox DTXSID7045029

Structure

InChI Key QSLMDECMDJKHMQ-UHFFFAOYSA-N
Smiles CNCCCC12CCC(c3ccccc31)c1ccccc12
InChI
InChI=1S/C20H23N/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

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H23N
Molecular Weight 277.41
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

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 Dopamine receptor
- - - 402-665 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - - 1.67 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- - - 12 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 1.67-665 -

Cross References

Resources Reference
ChEBI 6690
ChEMBL CHEMBL21731
DrugBank DB00934
DrugCentral 1634
FDA SRS 2U1W68TROF
Human Metabolome Database HMDB0015069
Guide to Pharmacology 2402
KEGG C07107
PharmGKB PA450322
PubChem 4011
SureChEMBL SCHEMBL33993
ZINC ZINC000001530688
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