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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL582355
CHEMBL582355
Compound Name ETHACRIDINE LACTATE
ChEMBL Synonyms SJ000012756
Max Phase 0
Trade Names
Molecular Formula C18H21N3O4

Additional synonyms for CHEMBL582355 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOc1ccc2nc3cc(N)ccc3c(N)c2c1.CC(O)C(=O)O
Standard InChI InChI=1S/C15H15N3O.C3H6O3/c1-2-19-10-4-6-13-12(8-10)15(17)11 ...
Download InChI
Standard InChI Key IYLLULUTZPKQBW-UHFFFAOYSA-N

Sources

  • GSK Malaria Screening
  • PubChem BioAssays
  • Scientific Literature
  • St Jude Leishmania Screening
  • St Jude Malaria Screening

Alternate Forms of Compound in ChEMBL


CHEMBL582355

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 CHEMBL582355. 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
CHEMBL1681620 Dihydrofolate reductase Staphylococcus aureus 0.966
CHEMBL1781862 Calmodulin-domain protein kinase 1 Toxoplasma gondii 0.947
CHEMBL4078 Acetylcholinesterase Electrophorus electricus 0.894
CHEMBL4768 Acetylcholinesterase Bos taurus 0.801
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.693
CHEMBL202 Dihydrofolate reductase Homo sapiens 0.585
CHEMBL3356 Cytochrome P450 1A2 Homo sapiens 0.333
CHEMBL220 Acetylcholinesterase Homo sapiens 0.310
CHEMBL1914 Butyrylcholinesterase Homo sapiens 0.281



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1287620 Fructose-bisphosphate aldolase Mycobacterium tuberculosis 0.950
CHEMBL4697 Hexose transporter 1 Plasmodium falciparum 0.935
CHEMBL5508 Dual specificity tyrosine-phosphorylation-regulated kinase 1A Rattus norvegicus 0.907
CHEMBL1681620 Dihydrofolate reductase Staphylococcus aureus 0.884
CHEMBL4078 Acetylcholinesterase Electrophorus electricus 0.859
CHEMBL4768 Acetylcholinesterase Bos taurus 0.796
CHEMBL1781862 Calmodulin-domain protein kinase 1 Toxoplasma gondii 0.789
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.690
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.591
CHEMBL2535 Glucose transporter Homo sapiens 0.555
CHEMBL5763 Cholinesterase Equus caballus 0.409
CHEMBL5567 Luciferin 4-monooxygenase Photinus pyralis 0.287
CHEMBL220 Acetylcholinesterase Homo sapiens 0.277
CHEMBL3356 Cytochrome P450 1A2 Homo sapiens 0.240
CHEMBL1293277 Niemann-Pick C1 protein Homo sapiens 0.240

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
253.3 253.1215 2.95 2 74.16 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 11.22 2.47 0 3 19 0.54

Structural Alerts

There are 8 structural alerts for CHEMBL582355. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IYLLULUTZPKQBW-UHFFFAOYSA-N
PubChem SID: 26750073
Wikipedia Ethacridine_lactate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL582355



ACToR 1837-57-6
Brenda 201157
ChEBI 31172
ChemicalBook CB6296423
eMolecules 4703025
EPA CompTox Dashboard DTXSID10872472
KEGG Ligand C12677
MolPort MolPort-001-739-190
PubChem 15789 129631502
PubChem: Thomson Pharma 14851630
SureChEMBL SCHEMBL138154

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