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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1377
CHEMBL1377
Compound Name CHLOROGUANIDE
ChEMBL Synonyms PALUDRINE | GWAH7673A | PROGUANIL HYDROCHLORIDE | PROGUANIL | CHLOROGUANIDE HYDROCHLORIDE | CHLOROGUANIDE | 336U50 | Proguanil chloride
Max Phase 4 (Approved)
Trade Names
Molecular Formula C11H16ClN5

Additional synonyms for CHEMBL1377 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1
Standard InChI InChI=1S/C11H16ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4 ...
Download InChI
Standard InChI Key SSOLNOMRVKKSON-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL1377

Molecule Features

CHEMBL1377 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

Mechanism of Action

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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication
MALARIAD008288EFO:0001068MALARIA1

Clinical Data

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

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 CHEMBL1377. 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 0.953

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL244 Coagulation factor X Homo sapiens 0.882
CHEMBL1741203 Scavenger receptor class B member 1 Mus musculus 0.289
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.225

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

Structural Alerts

There are 5 structural alerts for CHEMBL1377. To view alerts please click here.

Compound Cross References

ATC P - ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P01 - ANTIPROTOZOALS
P01B - ANTIMALARIALS
P01BB - Biguanides
P01BB01 - proguanil

P - ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P01 - ANTIPROTOZOALS
P01B - ANTIMALARIALS
P01BB - Biguanides
P01BB51 - proguanil, combinations

ChemSpider ChemSpider:SSOLNOMRVKKSON-UHFFFAOYSA-N
DailyMed proguanil hydrochloride
PubChem SID: 11112433 SID: 174006624
Wikipedia Proguanil

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1377



ACToR 500-92-5 46920-30-3
ChEBI 8455
DrugBank DB01131
EPA CompTox Dashboard DTXSID3022794
FDA SRS S61K3P7B2V
Human Metabolome Database HMDB15263
IBM Patent System F3BE28661B905FFD0090962F40197BFB
KEGG Ligand C07631
LINCS LSM-2618
Nikkaji J9.398J
PharmGKB PA451124
PubChem 5353897 4923 6178111
PubChem: Thomson Pharma 14823534
SureChEMBL SCHEMBL16894670 SCHEMBL17300525 SCHEMBL45726

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