ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL684
CHEMBL684
Compound Name DIETHYLCARBAMAZINE
ChEMBL Synonyms HETRAZAN | Decacide | Diethylcarbamazine Citrate | DIETHYLCARBAMAZINE | Difil | Hetrazan | Nemacide | Filarabits | Dirocide
Max Phase 4 (Approved)
Trade Names Difil | Decacide | HETRAZAN | Dirocide | Filarabits | Nemacide
Molecular Formula C10H21N3O

Additional synonyms for CHEMBL684 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)C(=O)N1CCN(C)CC1
Standard InChI InChI=1S/C10H21N3O/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13/h4-9 ...
Download InChI
Standard InChI Key RCKMWOKWVGPNJF-UHFFFAOYSA-N

Sources

  • British National Formulary
  • MMV Pathogen Box
  • 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


CHEMBL684

Molecule Features

CHEMBL684 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
Nematode GABA-A receptor positive modulator Nematode GABA-A receptor ISBN PubMed

Clinical Data

ClinicalTrials.gov DIETHYLCARBAMAZINE
The Cochrane Collaboration DIETHYLCARBAMAZINE

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 CHEMBL684. 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
CHEMBL4552 Peripheral-type benzodiazepine receptor Rattus norvegicus 0.851

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4552 Peripheral-type benzodiazepine receptor Rattus norvegicus 0.871
CHEMBL4191 Monoglyceride lipase Homo sapiens 0.580

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
199.3 199.1685 0.44 2 26.79 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.15 1.66 1.5 0 14 0.65

Structural Alerts

There are no structural alerts for CHEMBL684

Compound Cross References

ATC P - ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P02 - ANTHELMINTICS
P02C - ANTINEMATODAL AGENTS
P02CB - Piperazine and derivatives
P02CB02 - diethylcarbamazine

ChemSpider ChemSpider:RCKMWOKWVGPNJF-UHFFFAOYSA-N
Wikipedia Diethylcarbamazine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL684



ACToR 1642-54-2 90-89-1 12672-34-3
Brenda 51622
ChEBI 4527
DrugBank DB00711
DrugCentral 873
eMolecules 729255
EPA CompTox Dashboard DTXSID1022928
FDA SRS V867Q8X3ZD
Human Metabolome Database HMDB0014849
IBM Patent System 905EB3155421EE0E123C05D8681CF3C2
KEGG Ligand C07968
LINCS LSM-3009
Mcule MCULE-7296820622
Nikkaji J4.329J
PharmGKB PA164748883
PubChem 3052
PubChem: Thomson Pharma 15414101
SureChEMBL SCHEMBL67289
ZINC ZINC000000001288

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