MOCLOBEMIDE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: Parent
ATC: N06AG02
UNII: PJ0Y7AZB63

Structure
InChI Key YHXISWVBGDMDLQ-UHFFFAOYSA-N
Smile O=C(NCCN1CCOCC1)c1ccc(Cl)cc1
InChI
InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H17ClN2O2
Molecular Weight 268.74
AlogP 1.4
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 41.57
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Monoamine oxidase A inhibitor Other
Primary Target
Monoamine oxidase A
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 3900-10700 - 1080-100000 7-95
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 79433 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - 5012 - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 2

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder 4 D003866 ClinicalTrials
Dementia 3 D003704 ClinicalTrials
Schizophrenia 3 D012559 ClinicalTrials
Anxiety 3 D001007 ClinicalTrials
Substance-Related Disorders 2 D019966 ClinicalTrials
Tobacco Use Disorder 2 D014029 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 71320-77-9
ChEBI 83531
ChEMBL CHEMBL86304
DrugBank DB01171
DrugCentral 1825
EPA CompTox DTXSID9040554
FDA SRS PJ0Y7AZB63
Human Metabolome Database HMDB0015302
Guide to Pharmacology 7428
PharmGKB PA452615
PubChem 4235
SureChEMBL SCHEMBL49708
ZINC ZINC000019606670
CONTENTS