MOCLOBEMIDE

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Synonyms
Status
Molecule Category Free-form
ATC N06AG02
UNII PJ0Y7AZB63
EPA CompTox DTXSID9040554

Structure

InChI Key YHXISWVBGDMDLQ-UHFFFAOYSA-N
Smiles 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

Mechanism of Action Action Reference
Monoamine oxidase A inhibitor INHIBITOR Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 361.38 - 5-110 0-95.3
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - -3.3-27.5
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 361.38 - 5-110 -3.3-95.3
Rattus norvegicus
- - - 5-5.53 0

Target Conservation

Protein: Monoamine oxidase A
Description: Amine oxidase [flavin-containing] A
Organism : Homo sapiens
P21397 ENSG00000189221

Related Entries

Environmental Exposure

Environmental Exposure Map
Countries
Czech Republic
Germany
Hungary
Slovenia

Cross References

Resources Reference
ChEBI 83531
ChEMBL CHEMBL86304
DrugBank DB01171
DrugCentral 1825
FDA SRS PJ0Y7AZB63
Human Metabolome Database HMDB0015302
Guide to Pharmacology 7428
PharmGKB PA452615
PubChem 4235
SureChEMBL SCHEMBL49708
ZINC ZINC000019606670
CONTENTS