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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL65433
CHEMBL65433
Compound Name IMIDUREA
ChEMBL Synonyms IMIDUREA
Max Phase 0
Trade Names
Molecular Formula C11H16N8O8

Additional synonyms for CHEMBL65433 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCN1C(NC(=O)NCNC(=O)NC2N(CO)C(=O)NC2=O)C(=O)NC1=O
Standard InChI InChI=1S/C11H16N8O8/c20-2-18-4(6(22)16-10(18)26)14-8(24)12-1 ...
Download InChI
Standard InChI Key ZCTXEAQXZGPWFG-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL65433

Molecule Features

CHEMBL65433 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov IMIDUREA
The Cochrane Collaboration IMIDUREA

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
388.3 388.1091 -4.8 6 221.54 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 8 1 16 8 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.41 - -4.93 -5.16 0 27 0.16

Structural Alerts

There are 6 structural alerts for CHEMBL65433. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZCTXEAQXZGPWFG-UHFFFAOYSA-N
PubChem SID: 144212642 SID: 56463555
Wikipedia Imidazolidinyl_urea

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL65433



BindingDB 66981
ChEBI 51805
ChemicalBook CB3426267
DrugBank DB14075
eMolecules 539671
EPA CompTox Dashboard DTXSID2040151
LINCS LSM-5114
Mcule MCULE-6258433159
MolPort MolPort-003-941-818
Nikkaji J236.023C
PubChem 38258
PubChem: Thomson Pharma 15499037
SureChEMBL SCHEMBL34461

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