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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2051960
CHEMBL2051960
Compound Name CARBAZOCHROME
ChEMBL Synonyms CARBAZOCHROME
Max Phase 0
Trade Names
Molecular Formula C10H12N4O3

Additional synonyms for CHEMBL2051960 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CC(O)C2=C\C(=N\NC(=O)N)\C(=O)C=C12
Standard InChI InChI=1S/C10H12N4O3/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3 ...
Download InChI
Standard InChI Key XSXCZNVKFKNLPR-SDQBBNPISA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL2051960

Molecule Features

CHEMBL2051960 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
HemorrhageD006470MP:0001914hemorrhage0ATC

Clinical Data

ClinicalTrials.gov CARBAZOCHROME
The Cochrane Collaboration CARBAZOCHROME

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 CHEMBL2051960. 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.


10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.328

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
236.2 236.0909 -1.29 1 108.02 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 7 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.38 3.65 -.78 -.78 0 17 0.39

Structural Alerts

There are 7 structural alerts for CHEMBL2051960. To view alerts please click here.

Compound Cross References

ATC B - BLOOD AND BLOOD FORMING ORGANS
B02 - ANTIHEMORRHAGICS
B02B - VITAMIN K AND OTHER HEMOSTATICS
B02BX - Other systemic hemostatics
B02BX02 - carbazochrome

ChemSpider ChemSpider:XSXCZNVKFKNLPR-SDQBBNPISA-N
PubChem SID: 144206711

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2051960



ACToR 69-81-8
DrugBank DB09012
MolPort MolPort-004-964-901
PubChem 5360410
PubChem: Thomson Pharma 14970457
SureChEMBL SCHEMBL506178

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