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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201059
CHEMBL1201059
Compound Name CHLOROGUANIDE HYDROCHLORIDE
ChEMBL Synonyms Paludrine | Chloroguanide HCl | Proguanil | Proguanil HCl | Proguanil chloride
Max Phase 4 (Approved)
Trade Names Paludrine
Molecular Formula C11H17Cl2N5

Additional synonyms for CHEMBL1201059 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1
Standard InChI InChI=1S/C11H16ClN5.ClH/c1-7(2)15-10(13)17-11(14)16-9-5-3-8( ...
Download InChI
Standard InChI Key SARMGXPVOFNNNG-UHFFFAOYSA-N

Mechanism of Action

Mechanism of Action ChEMBL Target References
Dihydrofolate reductase inhibitor Dihydrofolate reductase DailyMed

Molecule Features

CHEMBL1201059 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:Y Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are 5 structural alerts for CHEMBL1201059. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1201059

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 CHEMBL1201059. 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
CHEMBL244 Coagulation factor X Homo sapiens 0.916

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL244 Coagulation factor X Homo sapiens 0.847
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.201

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
253.7 253.1094 2.23 6 83.79 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 11.15 2.49 1.13 1 17 0.4

Compound Cross References

ChemSpider ChemSpider:SARMGXPVOFNNNG-UHFFFAOYSA-N
PubChem SID: 144204027 SID: 170464800 SID: 56463664

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201059



ACToR 637-32-1
eMolecules 5852148
FDA SRS R71Y86M0WT
MolPort MolPort-003-666-543 MolPort-027-652-696
PubChem 9570076 5359484 66685262 12498
PubChem: Drugs of the Future 22395194
PubChem: Thomson Pharma 16631425
SureChEMBL SCHEMBL218859

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