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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL185073
CHEMBL185073
Compound Name PANCURONIUM
ChEMBL Synonyms PANCURONIUM | ORG NA 97 | ORG-NA 97 | PANCURONIUM BROMIDE | PAVULON | Pavulon | Mioblock
Max Phase 4 (Approved)
Trade Names PAVULON | PANCURONIUM BROMIDE | Mioblock
Molecular Formula C35H60N2O4+2

Additional synonyms for CHEMBL185073 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@@H] ...
Download SMILES
Standard InChI InChI=1S/C35H60N2O4/c1-24(38)40-32-21-26-13-14-27-28(35(26,4 ...
Download InChI
Standard InChI Key GVEAYVLWDAFXET-XGHATYIMSA-N

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL185073

Molecule Features

CHEMBL185073 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Muscle-type nicotinic acetylcholine receptor antagonist Muscle-type nicotinic acetylcholine receptor ISBN PubMed PubMed

Clinical Data

ClinicalTrials.gov PANCURONIUM
The Cochrane Collaboration PANCURONIUM

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 CHEMBL185073. 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
CHEMBL3056 Androgen Receptor Mus musculus 1.000
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 1.000
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 1.000
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 1.000
CHEMBL4027 Neurokinin 1 receptor Rattus norvegicus 1.000
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 1.000
CHEMBL4234 Estradiol 17-beta-dehydrogenase 3 Homo sapiens 0.999
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.999
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.998
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 0.997
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 0.995
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 0.990
CHEMBL3795 Melanocortin receptor 1 Homo sapiens 0.974
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.972
CHEMBL1871 Androgen Receptor Homo sapiens 0.944
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.913
CHEMBL4780 Acetylcholinesterase Torpedo californica 0.907
CHEMBL3456 Progesterone receptor Oryctolagus cuniculus 0.850
CHEMBL4402 Retinoid X receptor gamma Mus musculus 0.843



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1743122 Solute carrier family 22 member 2 Homo sapiens 1.000
CHEMBL4780 Acetylcholinesterase Torpedo californica 1.000
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 1.000
CHEMBL4370 UDP-glucuronosyltransferase 2B7 Homo sapiens 1.000
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 1.000
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 1.000
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 1.000
CHEMBL3056 Androgen Receptor Mus musculus 1.000
CHEMBL1828 DNA polymerase alpha subunit Homo sapiens 1.000
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 1.000
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 1.000
CHEMBL3775 Dual specificity phosphatase Cdc25A Homo sapiens 0.999
CHEMBL4027 Neurokinin 1 receptor Rattus norvegicus 0.999
CHEMBL3180 Carboxylesterase 2 Homo sapiens 0.999
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.997
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.996
CHEMBL3072 Androgen Receptor Rattus norvegicus 0.996
CHEMBL5398 Hepatocyte nuclear factor 4-alpha Homo sapiens 0.996
CHEMBL4234 Estradiol 17-beta-dehydrogenase 3 Homo sapiens 0.991
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 0.989

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
572.9 572.4542 6.11 4 52.6 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 2 6 0 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -1.18 -1.18 0 41 0.3

Structural Alerts

There are 3 structural alerts for CHEMBL185073. To view alerts please click here.

Compound Cross References

ATC M - MUSCULO-SKELETAL SYSTEM
M03 - MUSCLE RELAXANTS
M03A - MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
M03AC - Other quaternary ammonium compounds
M03AC01 - pancuronium

ChemSpider ChemSpider:GVEAYVLWDAFXET-XGHATYIMSA-N
DailyMed pancuronium bromide
PubChem SID: 50104094 SID: 90341747
Wikipedia Pancuronium_bromide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL185073



ACToR 16974-53-1
ChEBI 7907
DrugBank DB01337
DrugCentral 2052
EPA CompTox Dashboard DTXSID7048405
FDA SRS J76UF062FS
Guide to Pharmacology 4001
Human Metabolome Database HMDB0015430
IBM Patent System C7EE28169AE4DA395AEBC600E2295881
KEGG Ligand C07551
Nikkaji J312.489D
PharmGKB PA450771
PubChem 441289
SureChEMBL SCHEMBL13790650
ZINC ZINC000004097383

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