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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200790
CHEMBL1200790
Compound Name METHYPRYLON
ChEMBL Synonyms METHYPRYLON | NOLUDAR
Max Phase 4 (Approved)
Trade Names NOLUDAR
Molecular Formula C10H17NO2

Additional synonyms for CHEMBL1200790 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC1(CC)C(=O)NCC(C)C1=O
Standard InChI InChI=1S/C10H17NO2/c1-4-10(5-2)8(12)7(3)6-11-9(10)13/h7H,4-6 ...
Download InChI
Standard InChI Key SIDLZWOQUZRBRU-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


CHEMBL1200790

Molecule Features

CHEMBL1200790 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
GABA-A receptor; anion channel positive allosteric modulator GABA-A receptor; anion channel ISBN PubMed

Clinical Data

ClinicalTrials.gov METHYPRYLON
The Cochrane Collaboration METHYPRYLON

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 CHEMBL1200790. 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
CHEMBL208 Progesterone receptor Homo sapiens 0.229

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL208 Progesterone receptor Homo sapiens 0.271

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
183.3 183.1259 1.47 2 46.17 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.11 - .65 .65 0 13 0.66

Structural Alerts

There are 2 structural alerts for CHEMBL1200790. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N05 - PSYCHOLEPTICS
N05C - HYPNOTICS AND SEDATIVES
N05CE - Piperidinedione derivatives
N05CE02 - methyprylon

ChemSpider ChemSpider:SIDLZWOQUZRBRU-UHFFFAOYSA-N
Wikipedia Methyprylon

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200790



ACToR 125-64-4
ChEBI 31837
DrugBank DB01107
DrugCentral 1774
EPA CompTox Dashboard DTXSID7023306
Guide to Pharmacology 7238
Human Metabolome Database HMDB0015239
IBM Patent System DF0ED521574C6F242AFF084E4ADB5A0E
Nikkaji J82.012A J82.013J J41.174D
PharmGKB PA164746748
PubChem 4162
PubChem: Thomson Pharma 15195213
SureChEMBL SCHEMBL155838

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