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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1788390
CHEMBL1788390
Compound Name PROPENIDAZOLE
ChEMBL Synonyms PROPENIDAZOLE
Max Phase 0
Trade Names
Molecular Formula C11H13N3O5

Additional synonyms for CHEMBL1788390 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)\C(=C\c1ncc([N+](=O)[O-])n1C)\C(=O)C
Standard InChI InChI=1S/C11H13N3O5/c1-4-19-11(16)8(7(2)15)5-9-12-6-10(13(9) ...
Download InChI
Standard InChI Key GCHKUUOPYMFGEY-VMPITWQZSA-N

Sources

  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1788390

Molecule Features

CHEMBL1788390 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov PROPENIDAZOLE
The Cochrane Collaboration PROPENIDAZOLE

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
267.2 267.0855 0.71 6 107.01 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 0 8 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .51 .51 1 19 0.19

Structural Alerts

There are 15 structural alerts for CHEMBL1788390. To view alerts please click here.

Compound Cross References

ATC P - ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P01 - ANTIPROTOZOALS
P01A - AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
P01AB - Nitroimidazole derivatives
P01AB05 - propenidazole

G - GENITO URINARY SYSTEM AND SEX HORMONES
G01 - GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
G01A - ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
G01AF - Imidazole derivatives
G01AF14 - propenidazole

ChemSpider ChemSpider:GCHKUUOPYMFGEY-VMPITWQZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1788390



ACToR 76448-31-2
ChEBI 135098
DrugCentral 4025
EPA CompTox Dashboard DTXSID60227256
FDA SRS F0O89MB7QE
PubChem 6446788
PubChem: Thomson Pharma 14799157
SureChEMBL SCHEMBL1442063
ZINC ZINC000000001990

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