MAPROTILINE

Search structure
Synonyms:
Status: Approved (1980)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N06AA21
UNII: 2U1W68TROF

Structure
InChI Key QSLMDECMDJKHMQ-UHFFFAOYSA-N
Smile 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

Primary Target
NET
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 4322 - - -
Enzyme Transferase
- - - - 14.32
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor NMDA receptor
- 38000 - - -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 10000 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- 160 - 100 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 163 - 133 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 3463 - 187-402 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 400 - 1.021-1.67 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 336 - 18 -
Membrane receptor
- 160 79700 1.021-1.67 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 2910 - 12-30 -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- - - - 36.7

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder 4 D003866 ClinicalTrials
Anxiety 3 D001007 ClinicalTrials
Schizophrenia 3 D012559 ClinicalTrials
Dementia 3 D003704 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials
Brain Neoplasms 1 D001932 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 10262-69-8
ChEBI 6690
ChEMBL CHEMBL21731
DrugBank DB00934
DrugCentral 1634
EPA CompTox DTXSID7045029
FDA SRS 2U1W68TROF
Human Metabolome Database HMDB15069
Guide to Pharmacology 2402
KEGG C07107
PharmGKB PA450322
PubChem 4011
SureChEMBL SCHEMBL33993
ZINC ZINC000001530688
CONTENTS