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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201341
CHEMBL1201341
Compound Name ECHOTHIOPHATE
ChEMBL Synonyms Echothiophate | Ecostigmine Iodide | Echothiophate Iodide | Phospholine Iodide | Ecothiopate Iodide
Max Phase 4 (Approved)
Trade Names Phospholine Iodide
Molecular Formula C9H23NO3PS

Additional synonyms for CHEMBL1201341 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOP(=O)(OCC)SCC[N+](C)(C)C
Standard InChI InChI=1S/C9H23NO3PS/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5/h6- ...
Download InChI
Standard InChI Key BJOLKYGKSZKIGU-UHFFFAOYSA-N

Mechanism of Action

Mechanism of Action ChEMBL Target References
Acetylcholinesterase inhibitor Acetylcholinesterase DailyMed

Molecule Features

CHEMBL1201341 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Prescription-only

Clinical Data

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

Structural Alerts

There are 7 structural alerts for CHEMBL1201341. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1201341

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 CHEMBL1201341. 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
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.893
CHEMBL5831 Farnesyl diphosphate synthase Toxoplasma gondii 0.887
CHEMBL5720 P2Y purinoceptor 1 Meleagris gallopavo 0.824
CHEMBL4769 Geranylgeranyl pyrophosphate synthetase Homo sapiens 0.469
CHEMBL2326 Carbonic anhydrase VII Homo sapiens 0.369

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5982 ADAM9 Homo sapiens 0.996
CHEMBL5831 Farnesyl diphosphate synthase Toxoplasma gondii 0.821
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.625
CHEMBL5131 Trypanothione reductase Trypanosoma cruzi 0.601
CHEMBL5720 P2Y purinoceptor 1 Meleagris gallopavo 0.204

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
256.3 256.1136 -0.13 8 70.64 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.91 6.83 -.34 -3.41 0 15 0.45

Compound Cross References

ChemSpider ChemSpider:BJOLKYGKSZKIGU-UHFFFAOYSA-N
Wikipedia Echothiophate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201341



ACToR 6736-03-4
ChEBI 4753
DrugBank DB01057
FDA SRS 0F350BVT6S
Human Metabolome Database HMDB15190
IBM Patent System A87AA27B39C7E7C64EDF6E01A5569183
KEGG Ligand C06975
Nikkaji J2.248I
PubChem 10548
PubChem: Thomson Pharma 14847888
SureChEMBL SCHEMBL1048167
ZINC ZINC01530628

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