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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1104
CHEMBL1104
Compound Name EDROPHONIUM
ChEMBL Synonyms TENSILON | ENLON-PLUS | EDROPHONIUM CHLORIDE PRESERVATIVE FREE | ENLON | EDROPHONE CHLORIDE | Reversol | Enlon | REVERSOL | Edrophonium | TENSILON PRESERVATIVE FREE | CAMSILON | EDROPHONIUM CHLORIDE | Tensilon
Max Phase 4 (Approved)
Trade Names REVERSOL | TENSILON | CAMSILON | TENSILON PRESERVATIVE FREE | EDROPHONIUM CHLORIDE | EDROPHONIUM CHLORIDE PRESERVATIVE FREE | ENLON
Molecular Formula C10H16NO+

Additional synonyms for CHEMBL1104 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[N+](C)(C)c1cccc(O)c1
Standard InChI InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1- ...
Download InChI
Standard InChI Key VWLHWLSRQJQWRG-UHFFFAOYSA-O

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1104

Molecule Features

CHEMBL1104 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Acetylcholinesterase inhibitor Acetylcholinesterase DailyMed

Clinical Data

ClinicalTrials.gov EDROPHONIUM
The Cochrane Collaboration EDROPHONIUM

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 CHEMBL1104. 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
CHEMBL270 Mu opioid receptor Rattus norvegicus 0.961
CHEMBL3181 Estradiol 17-beta-dehydrogenase 1 Homo sapiens 0.910
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 0.886
CHEMBL3952 Kappa opioid receptor Cavia porcellus 0.808
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.725
CHEMBL236 Delta opioid receptor Homo sapiens 0.593
CHEMBL4768 Acetylcholinesterase Bos taurus 0.541
CHEMBL4354 Mu opioid receptor Cavia porcellus 0.464
CHEMBL269 Delta opioid receptor Rattus norvegicus 0.422
CHEMBL233 Mu opioid receptor Homo sapiens 0.352
CHEMBL242 Estrogen receptor beta Homo sapiens 0.348
CHEMBL4361 Induced myeloid leukemia cell differentiation protein Mcl-1 Homo sapiens 0.293
CHEMBL206 Estrogen receptor alpha Homo sapiens 0.268



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL270 Mu opioid receptor Rattus norvegicus 0.859
CHEMBL4768 Acetylcholinesterase Bos taurus 0.777
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 0.743
CHEMBL5131 Trypanothione reductase Trypanosoma cruzi 0.723
CHEMBL3181 Estradiol 17-beta-dehydrogenase 1 Homo sapiens 0.643
CHEMBL3952 Kappa opioid receptor Cavia porcellus 0.624
CHEMBL236 Delta opioid receptor Homo sapiens 0.486
CHEMBL242 Estrogen receptor beta Homo sapiens 0.388
CHEMBL269 Delta opioid receptor Rattus norvegicus 0.317
CHEMBL4354 Mu opioid receptor Cavia porcellus 0.203

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
166.2 166.1226 1.98 2 20.23 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.85 - -2.18 -1.93 1 12 0.67

Structural Alerts

There are 1 structural alerts for CHEMBL1104. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VWLHWLSRQJQWRG-UHFFFAOYSA-O
DailyMed edrophonium chloride
PubChem SID: 11111143 SID: 11111144 SID: 50100235 SID: 50104222 SID: 90341680

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1104



ACToR 312-48-1
BindingDB 120262
Brenda 5271
ChEBI 251408
DrugBank DB01010
DrugCentral 988
EPA CompTox Dashboard DTXSID4046943
FDA SRS 70FP3JLY7N
Guide to Pharmacology 9073
Human Metabolome Database HMDB0015145
IBM Patent System 484489BC8B05D389CBB5F42DEA26B36A
KEGG Ligand C06976
LINCS LSM-5867
Mcule MCULE-5963849469
Nikkaji J5.502F
PDBe EDR
PharmGKB PA449437
PubChem 3202
SureChEMBL SCHEMBL34790
ZINC ZINC000000001341

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