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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL257661
CHEMBL257661
Compound Name METAZOCINE
ChEMBL Synonyms METAZOCINE
Max Phase 0
Trade Names
Molecular Formula C15H21NO

Additional synonyms for CHEMBL257661 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C
Standard InChI InChI=1S/C15H21NO/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6- ...
Download InChI
Standard InChI Key YGSVZRIZCHZUHB-NZVBXONLSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL257661

Molecule Features

CHEMBL257661 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov METAZOCINE
The Cochrane Collaboration METAZOCINE

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 CHEMBL257661. 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
CHEMBL237 Kappa opioid receptor Homo sapiens 1.000
CHEMBL233 Mu opioid receptor Homo sapiens 1.000
CHEMBL270 Mu opioid receptor Rattus norvegicus 1.000
CHEMBL236 Delta opioid receptor Homo sapiens 1.000
CHEMBL4354 Mu opioid receptor Cavia porcellus 1.000
CHEMBL4329 Kappa opioid receptor Mus musculus 1.000
CHEMBL2858 Mu opioid receptor Mus musculus 1.000
CHEMBL3952 Kappa opioid receptor Cavia porcellus 1.000
CHEMBL3222 Delta opioid receptor Mus musculus 1.000
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 1.000
CHEMBL287 Sigma opioid receptor Homo sapiens 1.000
CHEMBL3041 Mu opioid receptor Bos taurus 1.000
CHEMBL3465 Sigma opioid receptor Mus musculus 1.000
CHEMBL269 Delta opioid receptor Rattus norvegicus 1.000
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 1.000
CHEMBL1850 Dopamine D5 receptor Homo sapiens 0.803
CHEMBL220 Acetylcholinesterase Homo sapiens 0.788
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.458
CHEMBL242 Estrogen receptor beta Homo sapiens 0.307
CHEMBL265 Dopamine D1 receptor Rattus norvegicus 0.271



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL237 Kappa opioid receptor Homo sapiens 1.000
CHEMBL4354 Mu opioid receptor Cavia porcellus 1.000
CHEMBL236 Delta opioid receptor Homo sapiens 1.000
CHEMBL4329 Kappa opioid receptor Mus musculus 1.000
CHEMBL270 Mu opioid receptor Rattus norvegicus 1.000
CHEMBL3952 Kappa opioid receptor Cavia porcellus 1.000
CHEMBL2858 Mu opioid receptor Mus musculus 1.000
CHEMBL233 Mu opioid receptor Homo sapiens 1.000
CHEMBL3222 Delta opioid receptor Mus musculus 1.000
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 1.000
CHEMBL3465 Sigma opioid receptor Mus musculus 1.000
CHEMBL287 Sigma opioid receptor Homo sapiens 1.000
CHEMBL3041 Mu opioid receptor Bos taurus 1.000
CHEMBL269 Delta opioid receptor Rattus norvegicus 1.000
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 1.000
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 1.000
CHEMBL220 Acetylcholinesterase Homo sapiens 0.945
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 0.880
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.840
CHEMBL4235 11-beta-hydroxysteroid dehydrogenase 1 Homo sapiens 0.635

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
231.3 231.1623 2.91 0 23.47 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.2 - 2.62 .84 1 17 0.74

Structural Alerts

There are no structural alerts for CHEMBL257661

Compound Cross References

ChemSpider ChemSpider:YGSVZRIZCHZUHB-NZVBXONLSA-N
PubChem SID: 124954045
Wikipedia Metazocine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL257661



ACToR 1509-00-8 58640-79-2
BindingDB 50367062
Nikkaji J501.326G
PubChem 3037886
ZINC ZINC000100309252

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