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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL380216
CHEMBL380216
Compound Name DIMINAZENE DIACETURATE
ChEMBL Synonyms Diminazene Diaceturate
Max Phase 0
Trade Names
Molecular Formula C22H29N9O6

Additional synonyms for CHEMBL380216 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)NCC(=O)O.CC(=O)NCC(=O)O.NC(=N)c1ccc(NN=Nc2ccc(cc2)C(=N ...
Download SMILES
Standard InChI InChI=1S/C14H15N7.2C4H7NO3/c15-13(16)9-1-5-11(6-2-9)19-21-20 ...
Download InChI
Standard InChI Key OKQSSSVVBOUMNZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL380216

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 CHEMBL380216. 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
CHEMBL3991 Coagulation factor VII Homo sapiens 1.000
CHEMBL3286 Urokinase-type plasminogen activator Homo sapiens 1.000
CHEMBL209 Trypsin I Homo sapiens 1.000
CHEMBL3769 Trypsin I Bos taurus 1.000
CHEMBL204 Thrombin Homo sapiens 1.000
CHEMBL1741195 Enteropeptidase Homo sapiens 1.000
CHEMBL1801 Plasminogen Homo sapiens 0.999
CHEMBL2319 Kallikrein 1 Homo sapiens 0.995
CHEMBL3656 Coagulation factor X Bos taurus 0.994
CHEMBL2820 Coagulation factor XI Homo sapiens 0.993
CHEMBL244 Coagulation factor X Homo sapiens 0.992
CHEMBL4081 Coagulation factor III Homo sapiens 0.992
CHEMBL3018 Matriptase Homo sapiens 0.991
CHEMBL2000 Plasma kallikrein Homo sapiens 0.984
CHEMBL1873 Tissue-type plasminogen activator Homo sapiens 0.882
CHEMBL2079849 Serine protease hepsin Homo sapiens 0.873
CHEMBL5567 Luciferin 4-monooxygenase Photinus pyralis 0.421
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.357



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3991 Coagulation factor VII Homo sapiens 1.000
CHEMBL3286 Urokinase-type plasminogen activator Homo sapiens 1.000
CHEMBL204 Thrombin Homo sapiens 1.000
CHEMBL3769 Trypsin I Bos taurus 1.000
CHEMBL2319 Kallikrein 1 Homo sapiens 1.000
CHEMBL209 Trypsin I Homo sapiens 1.000
CHEMBL1741195 Enteropeptidase Homo sapiens 0.999
CHEMBL3018 Matriptase Homo sapiens 0.998
CHEMBL1801 Plasminogen Homo sapiens 0.996
CHEMBL2000 Plasma kallikrein Homo sapiens 0.995
CHEMBL3656 Coagulation factor X Bos taurus 0.994
CHEMBL244 Coagulation factor X Homo sapiens 0.993
CHEMBL2079849 Serine protease hepsin Homo sapiens 0.984
CHEMBL4081 Coagulation factor III Homo sapiens 0.982
CHEMBL2820 Coagulation factor XI Homo sapiens 0.982
CHEMBL3243909 Glandular kallikrein Sus scrofa 0.980
CHEMBL1873 Tissue-type plasminogen activator Homo sapiens 0.978
CHEMBL4444 Vitamin K-dependent protein C Homo sapiens 0.915
CHEMBL1293277 Niemann-Pick C1 protein Homo sapiens 0.842
CHEMBL2738 Acrosin Homo sapiens 0.694

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
281.3 281.1389 2.37 5 136.49 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 5 0 7 7 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 11.84 1.8 -1.2 2 21 0.25

Structural Alerts

There are 11 structural alerts for CHEMBL380216. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OKQSSSVVBOUMNZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL380216



ACToR 908-54-3
ChEBI 82615
ChemicalBook CB9161027
eMolecules 31259952
EPA CompTox Dashboard DTXSID4022945
MolPort MolPort-006-822-625
PubChem 5284544
PubChem: Thomson Pharma 14860477
SureChEMBL SCHEMBL11311441

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