ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1128
CHEMBL1128
Compound Name EDROPHONIUM CHLORIDE
ChEMBL Synonyms TENSILON PRESERVATIVE FREE | EDROPHONIUM CHLORIDE | CAMSILON | TENSILON | EDROPHONE CHLORIDE | REVERSOL | EDROPHONIUM CHLORIDE PRESERVATIVE FREE | ENLON
Max Phase 4 (Approved)
Trade Names CAMSILON | EDROPHONIUM CHLORIDE | EDROPHONIUM CHLORIDE PRESERVATIVE FREE | ENLON | REVERSOL | TENSILON | TENSILON PRESERVATIVE FREE
Molecular Formula C10H16ClNO

Additional synonyms for CHEMBL1128 found using NCI Chemical Identifier Resolver

Compound Representations

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

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1128

Molecule Features

CHEMBL1128 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 CHLORIDE
The Cochrane Collaboration EDROPHONIUM CHLORIDE

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 CHEMBL1128. 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 CHEMBL1128. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BXKDSDJJOVIHMX-UHFFFAOYSA-N
DailyMed edrophonium chloride
PubChem SID: 144203689 SID: 170464801 SID: 26747508 SID: 26747509 SID: 50106293 SID: 50106294 SID: 50106295 SID: 56422101 SID: 855983
Wikipedia Edrophonium

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1128



ACToR 116-38-1
Brenda 50989 24954
ChEBI 4759
ChemicalBook CB1170926
eMolecules 3715889
EPA CompTox Dashboard DTXSID1022978
FDA SRS QO611KSM5P
Mcule MCULE-3821322707
MolPort MolPort-003-665-564
NIH Clinical Collection SAM002564207
PubChem 8307 60204238
PubChem: Thomson Pharma 15092241
SureChEMBL SCHEMBL34789

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