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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL124025
CHEMBL124025
Compound Name DIMINAZEN ACETURATE
ChEMBL Synonyms Diminazene Aceturate
Max Phase 0
Trade Names
Molecular Formula C18H22N8O3

Additional synonyms for CHEMBL124025 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)NCC(=O)O.NC(=N)c1ccc(NN=Nc2ccc(cc2)C(=N)N)cc1
Standard InChI InChI=1S/C14H15N7.C4H7NO3/c15-13(16)9-1-5-11(6-2-9)19-21-20- ...
Download InChI
Standard InChI Key XJLITJHUQRBWPN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL124025

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 CHEMBL124025. 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
CHEMBL3769 Trypsin I Bos taurus 1.000
CHEMBL204 Thrombin Homo sapiens 1.000
CHEMBL209 Trypsin I Homo sapiens 1.000
CHEMBL1801 Plasminogen Homo sapiens 0.999
CHEMBL244 Coagulation factor X Homo sapiens 0.997
CHEMBL2000 Plasma kallikrein Homo sapiens 0.996
CHEMBL2319 Kallikrein 1 Homo sapiens 0.993
CHEMBL3656 Coagulation factor X Bos taurus 0.992
CHEMBL3018 Matriptase Homo sapiens 0.991
CHEMBL1741195 Enteropeptidase Homo sapiens 0.974
CHEMBL1873 Tissue-type plasminogen activator Homo sapiens 0.963
CHEMBL2820 Coagulation factor XI Homo sapiens 0.961
CHEMBL2016 Coagulation factor IX Homo sapiens 0.674
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.513
CHEMBL5062 Coagulation factor X Oryctolagus cuniculus 0.304



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
CHEMBL209 Trypsin I Homo sapiens 1.000
CHEMBL2000 Plasma kallikrein Homo sapiens 0.999
CHEMBL1801 Plasminogen Homo sapiens 0.998
CHEMBL3018 Matriptase Homo sapiens 0.998
CHEMBL244 Coagulation factor X Homo sapiens 0.997
CHEMBL2319 Kallikrein 1 Homo sapiens 0.996
CHEMBL3656 Coagulation factor X Bos taurus 0.991
CHEMBL1873 Tissue-type plasminogen activator Homo sapiens 0.990
CHEMBL3243909 Glandular kallikrein Sus scrofa 0.990
CHEMBL4444 Vitamin K-dependent protein C Homo sapiens 0.961
CHEMBL1293277 Niemann-Pick C1 protein Homo sapiens 0.919
CHEMBL2820 Coagulation factor XI Homo sapiens 0.894
CHEMBL1741195 Enteropeptidase Homo sapiens 0.873
CHEMBL2738 Acrosin Homo sapiens 0.724
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.683
CHEMBL4471 Thrombin Bos taurus 0.610

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
281.3 281.1389 1.7 5 136.49 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 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 CHEMBL124025. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XJLITJHUQRBWPN-UHFFFAOYSA-N
Wikipedia Diminazen

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL124025



Brenda 3329
FDA SRS JI8SAD85NO
PubChem 65060
SureChEMBL SCHEMBL120718

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