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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL544227
CHEMBL544227
Compound Name CHLORCYCLOGUANIL HYDROCHLORIDE
ChEMBL Synonyms GNF-Pf-2519
Max Phase 0
Trade Names
Molecular Formula C11H15Cl2N5

Additional synonyms for CHEMBL544227 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.CC1(C)N=C(N)N=C(N)N1c2ccc(Cl)cc2
Standard InChI InChI=1S/C11H14ClN5.ClH/c1-11(2)16-9(13)15-10(14)17(11)8-5-3 ...
Download InChI
Standard InChI Key MOUAPRKJJUXEIE-UHFFFAOYSA-N

Structural Alerts

There are no structural alerts for CHEMBL544227

Alternate Forms of Compound in ChEMBL


CHEMBL544227

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 CHEMBL544227. 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
CHEMBL1939 Dihydrofolate reductase Plasmodium falciparum K1 1.000
CHEMBL2575 Dihydrofolate reductase Gallus gallus 1.000
CHEMBL1926 Dihydrofolate reductase Pneumocystis carinii 1.000
CHEMBL1809 Dihydrofolate reductase Escherichia coli K-12 1.000
CHEMBL2902 Dihydrofolate reductase Lactobacillus casei 1.000
CHEMBL202 Dihydrofolate reductase Homo sapiens 0.999
CHEMBL1075051 Dihydrofolate reductase Bos taurus 0.999
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.860



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1939 Dihydrofolate reductase Plasmodium falciparum K1 1.000
CHEMBL2575 Dihydrofolate reductase Gallus gallus 1.000
CHEMBL2902 Dihydrofolate reductase Lactobacillus casei 1.000
CHEMBL1809 Dihydrofolate reductase Escherichia coli K-12 1.000
CHEMBL1926 Dihydrofolate reductase Pneumocystis carinii 1.000
CHEMBL1075051 Dihydrofolate reductase Bos taurus 1.000
CHEMBL202 Dihydrofolate reductase Homo sapiens 0.999
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.718

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
251.7 251.0938 1.62 1 80 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 5 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.27 .95 -.69 1 17 0.79

Compound Cross References

ChemSpider ChemSpider:MOUAPRKJJUXEIE-UHFFFAOYSA-N
PubChem SID: 144207152

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL544227



ACToR 152-53-4
eMolecules 1946991
KEGG Ligand C15270
MolPort MolPort-000-648-784
PubChem 67107973 9048 44723280
SureChEMBL SCHEMBL1649173

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