ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL123292
CHEMBL123292
Compound Name CYCLOHEXIMIDE
ChEMBL Synonyms CYCLOHEXIMIDE | NSC-171 | CICLOHEXIMIDE | GNF-Pf-5118
Max Phase 0
Trade Names
Molecular Formula C15H23NO4

Additional synonyms for CHEMBL123292 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC2CC(=O)NC(=O)C2
Standard InChI InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(1 ...
Download InChI
Standard InChI Key YPHMISFOHDHNIV-FSZOTQKASA-N

Sources

  • DrugMatrix
  • GSK Malaria Screening
  • Gene Expression Atlas Compounds
  • Harvard Malaria Screening
  • Novartis Malaria Screening
  • Open TG-GATEs
  • PubChem BioAssays
  • Scientific Literature
  • St Jude Leishmania Screening
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL123292

Molecule Features

CHEMBL123292 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov CYCLOHEXIMIDE
The Cochrane Collaboration CYCLOHEXIMIDE

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 CHEMBL123292. 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
CHEMBL4372 Anthrax lethal factor Bacillus anthracis 0.432

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
281.4 281.1627 1.04 3 83.47 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.61 - .55 .55 0 20 0.76

Structural Alerts

There are 4 structural alerts for CHEMBL123292. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YPHMISFOHDHNIV-FSZOTQKASA-N
PubChem SID: 103076162 SID: 124883128 SID: 124883129 SID: 144207129 SID: 144208356 SID: 144213954 SID: 170466349 SID: 17389082 SID: 17389083 SID: 26752000 SID: 50104677 SID: 56463698 SID: 67121
Wikipedia Cycloheximide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL123292



ACToR 66-81-9
Atlas cycloheximide
BindingDB 50080528
Brenda 105780 1715 154420 105779 153430 135374
ChEBI 27641
eMolecules 29817042 474920
EPA CompTox Dashboard DTXSID6024882
FDA SRS 98600C0908
Guide to Pharmacology 5433
IBM Patent System 4ED2853E8EF0D28442D5EE113A3781F7
KEGG Ligand C06685
LINCS LSM-2791
Metabolights MTBLC27641
MolPort MolPort-002-070-550
Nikkaji J107.994H
PDBe 3HE
PubChem 6197
PubChem: Thomson Pharma 16602052
SureChEMBL SCHEMBL26617
ZINC ZINC000003872170

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