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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL673
CHEMBL673
Compound Name PARGYLINE
ChEMBL Synonyms EUTONYL | MO-911 | Eutron | A-19120 | PARGYLINE HYDROCHLORIDE | Eutonyl | PARGYLINE
Max Phase 4 (Approved)
Trade Names EUTONYL
Molecular Formula C11H13N

Additional synonyms for CHEMBL673 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(CC#C)Cc1ccccc1
Standard InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10 ...
Download InChI
Standard InChI Key DPWPWRLQFGFJFI-UHFFFAOYSA-N

Sources

  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL673

Molecule Features

CHEMBL673 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
HypertensionD006973EFO:0000537hypertension4ATC

Clinical Data

ClinicalTrials.gov PARGYLINE
The Cochrane Collaboration PARGYLINE

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 CHEMBL673. 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
CHEMBL2993 Monoamine oxidase B Rattus norvegicus 1.000
CHEMBL3358 Monoamine oxidase A Rattus norvegicus 1.000
CHEMBL1951 Monoamine oxidase A Homo sapiens 1.000
CHEMBL2039 Monoamine oxidase B Homo sapiens 1.000
CHEMBL3160 Thymidylate synthase Mus musculus 1.000
CHEMBL3254 Monoamine oxidase A Bos taurus 0.993
CHEMBL1952 Thymidylate synthase Homo sapiens 0.985
CHEMBL220 Acetylcholinesterase Homo sapiens 0.925
CHEMBL5763 Cholinesterase Equus caballus 0.907
CHEMBL5077 Butyrylcholinesterase Equus caballus 0.888
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.765
CHEMBL4078 Acetylcholinesterase Electrophorus electricus 0.369
CHEMBL2425 Dihydrofolate reductase Toxoplasma gondii 0.329
CHEMBL222 Norepinephrine transporter Homo sapiens 0.299
CHEMBL2363 Dihydrofolate reductase Rattus norvegicus 0.231



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2993 Monoamine oxidase B Rattus norvegicus 1.000
CHEMBL3358 Monoamine oxidase A Rattus norvegicus 1.000
CHEMBL1951 Monoamine oxidase A Homo sapiens 1.000
CHEMBL3160 Thymidylate synthase Mus musculus 1.000
CHEMBL2039 Monoamine oxidase B Homo sapiens 1.000
CHEMBL220 Acetylcholinesterase Homo sapiens 0.999
CHEMBL3254 Monoamine oxidase A Bos taurus 0.999
CHEMBL5077 Butyrylcholinesterase Equus caballus 0.998
CHEMBL5763 Cholinesterase Equus caballus 0.961
CHEMBL1914 Butyrylcholinesterase Homo sapiens 0.940
CHEMBL1952 Thymidylate synthase Homo sapiens 0.920
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.768
CHEMBL4078 Acetylcholinesterase Electrophorus electricus 0.566
CHEMBL202 Dihydrofolate reductase Homo sapiens 0.369
CHEMBL2363 Dihydrofolate reductase Rattus norvegicus 0.362
CHEMBL222 Norepinephrine transporter Homo sapiens 0.318
CHEMBL2756 Monoamine oxidase B Bos taurus 0.285

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
159.2 159.1048 1.75 3 3.24 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.5 1.68 1.62 1 12 0.61

Structural Alerts

There are 2 structural alerts for CHEMBL673. To view alerts please click here.

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C02 - ANTIHYPERTENSIVES
C02K - OTHER ANTIHYPERTENSIVES
C02KC - MAO inhibitors
C02KC01 - pargyline

ChemSpider ChemSpider:DPWPWRLQFGFJFI-UHFFFAOYSA-N
PubChem SID: 11111668 SID: 11111669 SID: 90340843
Wikipedia Pargyline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL673



ACToR 555-57-7
BindingDB 50172756
Brenda 68931 82782 109246 1761
ChEBI 7930
DrugBank DB01626
DrugCentral 2065
eMolecules 592188
EPA CompTox Dashboard DTXSID3023423
FDA SRS 9MV14S8G3E
Guide to Pharmacology 7262
Human Metabolome Database HMDB0015563
IBM Patent System 8C6D30B025822D485E5159B84D36481D
KEGG Ligand C07414
LINCS LSM-3878
Mcule MCULE-3540521287
MolPort MolPort-001-792-188
Nikkaji J6.471H
NMRShiftDB 20208813
PharmGKB PA450797
PubChem 4688
PubChem: Thomson Pharma 15171008
SureChEMBL SCHEMBL2045
ZINC ZINC000053084618

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