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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL97350
CHEMBL97350
Compound Name AMPROLIUM CHLORIDE
ChEMBL Synonyms Amprolium | AMPROCIDUM | MEPYRIUM
Max Phase 0
Trade Names
Molecular Formula C14H19N4.Cl

Additional synonyms for CHEMBL97350 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Cl-].CCCc1ncc(C[n+]2ccccc2C)c(N)n1
Standard InChI InChI=1S/C14H19N4.ClH/c1-3-6-13-16-9-12(14(15)17-13)10-18-8- ...
Download InChI
Standard InChI Key LCTXBFGHZLGBNU-UHFFFAOYSA-M

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL97350

Molecule Features

CHEMBL97350 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

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 CHEMBL97350. 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
CHEMBL4983 Transketolase Homo sapiens 1.000
CHEMBL3963 Dihydrofolate reductase Plasmodium berghei str. ANKA 0.997
CHEMBL3565 Dihydrofolate reductase Neisseria gonorrhoeae 0.990
CHEMBL226 Adenosine A1 receptor Homo sapiens 0.926
CHEMBL1681620 Dihydrofolate reductase Staphylococcus aureus 0.902
CHEMBL251 Adenosine A2a receptor Homo sapiens 0.802
CHEMBL1939 Dihydrofolate reductase Plasmodium falciparum K1 0.587
CHEMBL204 Thrombin Homo sapiens 0.541
CHEMBL2627 Dihydrofolate reductase type 1 Escherichia coli 0.471



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4983 Transketolase Homo sapiens 1.000
CHEMBL5805 Toll-like receptor 8 Homo sapiens 0.998
CHEMBL3963 Dihydrofolate reductase Plasmodium berghei str. ANKA 0.997
CHEMBL3565 Dihydrofolate reductase Neisseria gonorrhoeae 0.979
CHEMBL226 Adenosine A1 receptor Homo sapiens 0.964
CHEMBL251 Adenosine A2a receptor Homo sapiens 0.914
CHEMBL1681620 Dihydrofolate reductase Staphylococcus aureus 0.888
CHEMBL2627 Dihydrofolate reductase type 1 Escherichia coli 0.435
CHEMBL1939 Dihydrofolate reductase Plasmodium falciparum K1 0.386
CHEMBL204 Thrombin Homo sapiens 0.378

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
243.3 243.161 2.26 4 55.68 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.01 -1.84 -1.84 2 18 0.84

Structural Alerts

There are 3 structural alerts for CHEMBL97350. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LCTXBFGHZLGBNU-UHFFFAOYSA-M
Wikipedia Amprolium

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL97350



ACToR 121-25-5
ChEBI 85265
eMolecules 2726604
FDA SRS 71M75T660B
PubChem 73341
PubChem: Thomson Pharma 15442503
SureChEMBL SCHEMBL362893

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