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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL937
CHEMBL937
Compound Name DIETHYLCARBAMAZINE CITRATE
ChEMBL Synonyms Difil | Nemacide | HETRAZAN | Diethylcarbamazine Citrate | Dirocide | Filarabits | Decacide
Max Phase 4 (Approved)
Trade Names Decacide | Difil | Dirocide | Filarabits | HETRAZAN | Nemacide
Molecular Formula C16H29N3O8

Additional synonyms for CHEMBL937 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)C(=O)N1CCN(C)CC1.OC(=O)CC(O)(CC(=O)O)C(=O)O
Standard InChI InChI=1S/C10H21N3O.C6H8O7/c1-4-12(5-2)10(14)13-8-6-11(3)7-9- ...
Download InChI
Standard InChI Key PGNKBEARDDELNB-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL937

Molecule Features

CHEMBL937 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 CITRATE
The Cochrane Collaboration DIETHYLCARBAMAZINE CITRATE

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 CHEMBL937. 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 CHEMBL937

Compound Cross References

ChemSpider ChemSpider:PGNKBEARDDELNB-UHFFFAOYSA-N
PubChem SID: 11112950 SID: 11532955 SID: 124882739 SID: 144204299 SID: 170465631 SID: 26747989 SID: 56422104

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL937



ACToR 16354-46-4
ChEBI 4528
eMolecules 511040
EPA CompTox Dashboard DTXSID4045555
FDA SRS OS1Z389K8S
Mcule MCULE-8882849329
MolPort MolPort-003-665-489
PubChem 15432
PubChem: Thomson Pharma 14903077
SureChEMBL SCHEMBL37736

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