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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL781
CHEMBL781
Compound Name MAZINDOL
ChEMBL Synonyms MAZINDOL | MAZANOR | 42-548 | SANOREX | TERONAC
Max Phase 4 (Approved)
Trade Names SANOREX | MAZANOR | TERONAC
Molecular Formula C16H13ClN2O

Additional synonyms for CHEMBL781 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC1(N2CCN=C2c3ccccc13)c4ccc(Cl)cc4
Standard InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-1 ...
Download InChI
Standard InChI Key ZPXSCAKFGYXMGA-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Orange Book
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL781

Molecule Features

CHEMBL781 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
Monoamine transporter inhibitor Monoamine transporter PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Attention Deficit Disorder with HyperactivityD001289EFO:0003888attention deficit hyperactivity disorder2ClinicalTrials
ObesityD009765EFO:0001073obesity4ATC
Cocaine-Related DisordersD019970EFO:0002610cocaine dependence2ClinicalTrials

Clinical Data

ClinicalTrials.gov MAZINDOL
The Cochrane Collaboration MAZINDOL

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL781. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL238 Dopamine transporter Homo sapiens 1.000
CHEMBL338 Dopamine transporter Rattus norvegicus 0.999
CHEMBL222 Norepinephrine transporter Homo sapiens 0.974
CHEMBL228 Serotonin transporter Homo sapiens 0.730

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL338 Dopamine transporter Rattus norvegicus 1.000
CHEMBL238 Dopamine transporter Homo sapiens 1.000
CHEMBL222 Norepinephrine transporter Homo sapiens 0.945
CHEMBL228 Serotonin transporter Homo sapiens 0.939
CHEMBL3401 Pregnane X receptor Homo sapiens 0.693
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.245
CHEMBL4235 11-beta-hydroxysteroid dehydrogenase 1 Homo sapiens 0.244

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
284.8 284.0716 2.61 1 35.83 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.82 12.86 2.36 .36 2 20 0.87

Structural Alerts

There are 1 structural alerts for CHEMBL781. To view alerts please click here.

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A08 - ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
A08A - ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
A08AA - Centrally acting antiobesity products
A08AA05 - mazindol

ChemSpider ChemSpider:ZPXSCAKFGYXMGA-UHFFFAOYSA-N
Wikipedia Mazindol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL781



ACToR 22232-71-9
BindingDB 50005536
ChEBI 6702
DrugBank DB00579
DrugCentral 1640
eMolecules 591662
EPA CompTox Dashboard DTXSID1023237
Guide to Pharmacology 4797 4591
Human Metabolome Database HMDB0014718
IBM Patent System 9524E50F932085DE1E9BD5B410B7B03F
LINCS LSM-45791
Nikkaji J11.418I
PharmGKB PA450326
PubChem 4020
PubChem: Drugs of the Future 99431540
PubChem: Thomson Pharma 14897762
SureChEMBL SCHEMBL27849

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/ZPXSCAKFGYXMGA-UHFFFAOYSA-N spacer
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