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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200541
CHEMBL1200541
Compound Name AMBENONIUM CHLORIDE
ChEMBL Synonyms MYTELASE | AMBENONIUM CHLORIDE
Max Phase 4 (Approved)
Trade Names MYTELASE
Molecular Formula C28H42Cl4N4O2

Additional synonyms for CHEMBL1200541 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Cl-].[Cl-].CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1 ...
Download SMILES
Standard InChI InChI=1S/C28H40Cl2N4O2.2ClH/c1-5-33(6-2,21-23-13-9-11-15-25( ...
Download InChI
Standard InChI Key DXUUXWKFVDVHIK-UHFFFAOYSA-N

Sources

  • Orange Book
  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1200541

Molecule Features

CHEMBL1200541 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Acetylcholinesterase inhibitor Acetylcholinesterase FDA

Clinical Data

ClinicalTrials.gov AMBENONIUM CHLORIDE
The Cochrane Collaboration AMBENONIUM 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 CHEMBL1200541. 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
CHEMBL5857 Trace amine-associated receptor 1 Homo sapiens 0.984
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.819
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.563
CHEMBL2392 DNA polymerase beta Homo sapiens 0.410
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.324
CHEMBL1947 Thyroid hormone receptor beta-1 Homo sapiens 0.298



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5857 Trace amine-associated receptor 1 Homo sapiens 0.998
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.543
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.274
CHEMBL1741179 Probable DNA dC->dU-editing enzyme APOBEC-3A Homo sapiens 0.238

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
537.6 536.2674 4.64 14 58.2 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 1 6 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.09 - -3.01 -3.01 2 36 0.27

Structural Alerts

There are 11 structural alerts for CHEMBL1200541. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DXUUXWKFVDVHIK-UHFFFAOYSA-N
PubChem SID: 144205583 SID: 170465386

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200541



ACToR 115-79-7 52022-31-8
ChEBI 2628
eMolecules 3715645
EPA CompTox Dashboard DTXSID3022582
FDA SRS 51FOB87G3I
MolPort MolPort-003-666-839
PubChem 8288
PubChem: Thomson Pharma 15433954
SureChEMBL SCHEMBL133487

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