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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL350384
CHEMBL350384
Compound Name BREMAZOCINE
ChEMBL Synonyms BREMAZOCINE
Max Phase 0
Trade Names
Molecular Formula C20H29NO2

Additional synonyms for CHEMBL350384 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC12CCN(CC3(O)CC3)C(Cc4ccc(O)cc14)C2(C)C
Standard InChI InChI=1S/C20H29NO2/c1-4-20-9-10-21(13-19(23)7-8-19)17(18(20, ...
Download InChI
Standard InChI Key ZDXGFIXMPOUDFF-UHFFFAOYSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL350384

Molecule Features

CHEMBL350384 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov BREMAZOCINE
The Cochrane Collaboration BREMAZOCINE

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 CHEMBL350384. 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
CHEMBL3952 Kappa opioid receptor Cavia porcellus 1.000
CHEMBL4354 Mu opioid receptor Cavia porcellus 1.000
CHEMBL236 Delta opioid receptor Homo sapiens 1.000
CHEMBL3041 Mu opioid receptor Bos taurus 1.000
CHEMBL237 Kappa opioid receptor Homo sapiens 1.000
CHEMBL233 Mu opioid receptor Homo sapiens 1.000
CHEMBL2858 Mu opioid receptor Mus musculus 1.000
CHEMBL4329 Kappa opioid receptor Mus musculus 1.000
CHEMBL3222 Delta opioid receptor Mus musculus 1.000
CHEMBL270 Mu opioid receptor Rattus norvegicus 1.000
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 1.000
CHEMBL269 Delta opioid receptor Rattus norvegicus 1.000
CHEMBL3465 Sigma opioid receptor Mus musculus 1.000
CHEMBL242 Estrogen receptor beta Homo sapiens 0.997
CHEMBL4234 Estradiol 17-beta-dehydrogenase 3 Homo sapiens 0.981
CHEMBL206 Estrogen receptor alpha Homo sapiens 0.939
CHEMBL287 Sigma opioid receptor Homo sapiens 0.797
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.475
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.467
CHEMBL2528 Butyrylcholinesterase Mus musculus 0.274



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3952 Kappa opioid receptor Cavia porcellus 1.000
CHEMBL236 Delta opioid receptor Homo sapiens 1.000
CHEMBL3041 Mu opioid receptor Bos taurus 1.000
CHEMBL4354 Mu opioid receptor Cavia porcellus 1.000
CHEMBL2858 Mu opioid receptor Mus musculus 1.000
CHEMBL4329 Kappa opioid receptor Mus musculus 1.000
CHEMBL237 Kappa opioid receptor Homo sapiens 1.000
CHEMBL233 Mu opioid receptor Homo sapiens 1.000
CHEMBL270 Mu opioid receptor Rattus norvegicus 1.000
CHEMBL3222 Delta opioid receptor Mus musculus 1.000
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 1.000
CHEMBL3465 Sigma opioid receptor Mus musculus 1.000
CHEMBL269 Delta opioid receptor Rattus norvegicus 1.000
CHEMBL242 Estrogen receptor beta Homo sapiens 0.998
CHEMBL4234 Estradiol 17-beta-dehydrogenase 3 Homo sapiens 0.995
CHEMBL206 Estrogen receptor alpha Homo sapiens 0.993
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.992
CHEMBL1795167 Toll-like receptor 4 Mus musculus 0.985
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.899
CHEMBL287 Sigma opioid receptor Homo sapiens 0.892

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
315.5 315.2198 3.22 3 43.7 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.12 9.14 3.22 1.43 1 23 0.9

Structural Alerts

There are no structural alerts for CHEMBL350384

Compound Cross References

ChemSpider ChemSpider:ZDXGFIXMPOUDFF-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL350384



ACToR 71990-00-6
BindingDB 50013388
IBM Patent System 3E8BF7DC7CD6BB86F4782E66DA97E4D3
Nikkaji J395.478A
PubChem 1223
PubChem: Thomson Pharma 15073874
SureChEMBL SCHEMBL11246286

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