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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL281786
CHEMBL281786
Compound Name DIPRENORPHINE
ChEMBL Synonyms DIPRENORPHINE | [3H]-Diprenorphine | M50-50 INJECTION
Max Phase 0
Trade Names
Molecular Formula C26H35NO4

Additional synonyms for CHEMBL281786 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]4Cc5ccc(O)c6O[C@@H]2[ ...
Download SMILES
Standard InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25( ...
Download InChI
Standard InChI Key OIJXLIIMXHRJJH-KNLIIKEYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL281786

Molecule Features

CHEMBL281786 compound icon
Drug Type:Natural Product-derived 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 DIPRENORPHINE
The Cochrane Collaboration DIPRENORPHINE

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 CHEMBL281786. 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
CHEMBL233 Mu opioid receptor Homo sapiens 1.000
CHEMBL236 Delta opioid receptor Homo sapiens 1.000
CHEMBL237 Kappa opioid receptor Homo sapiens 1.000
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 1.000
CHEMBL3041 Mu opioid receptor Bos taurus 1.000
CHEMBL3952 Kappa opioid receptor Cavia porcellus 1.000
CHEMBL2014 Nociceptin receptor Homo sapiens 1.000
CHEMBL4329 Kappa opioid receptor Mus musculus 1.000
CHEMBL3222 Delta opioid receptor Mus musculus 1.000
CHEMBL269 Delta opioid receptor Rattus norvegicus 1.000
CHEMBL270 Mu opioid receptor Rattus norvegicus 1.000
CHEMBL2858 Mu opioid receptor Mus musculus 1.000
CHEMBL4354 Mu opioid receptor Cavia porcellus 1.000



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL233 Mu opioid receptor Homo sapiens 1.000
CHEMBL236 Delta opioid receptor Homo sapiens 1.000
CHEMBL2014 Nociceptin receptor Homo sapiens 1.000
CHEMBL2858 Mu opioid receptor Mus musculus 1.000
CHEMBL237 Kappa opioid receptor Homo sapiens 1.000
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 1.000
CHEMBL3041 Mu opioid receptor Bos taurus 1.000
CHEMBL3952 Kappa opioid receptor Cavia porcellus 1.000
CHEMBL4354 Mu opioid receptor Cavia porcellus 1.000
CHEMBL4329 Kappa opioid receptor Mus musculus 1.000
CHEMBL3222 Delta opioid receptor Mus musculus 1.000
CHEMBL269 Delta opioid receptor Rattus norvegicus 1.000
CHEMBL270 Mu opioid receptor Rattus norvegicus 1.000
CHEMBL3638334 Opioid growth factor receptor-like protein 1 Homo sapiens 1.000
CHEMBL1795167 Toll-like receptor 4 Mus musculus 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.267

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
425.6 425.2566 3.39 4 62.16 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.44 8.21 1.55 .65 1 31 0.77

Structural Alerts

There are no structural alerts for CHEMBL281786

Compound Cross References

ChemSpider ChemSpider:OIJXLIIMXHRJJH-KNLIIKEYSA-N
Wikipedia Diprenorphine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL281786



ACToR 14357-78-9
BindingDB 50001714
ChEBI 4650
DrugBank DB01548
eMolecules 8704853
EPA CompTox Dashboard DTXSID00903941
FDA SRS 1F0L5N25ZZ
Guide to Pharmacology 1617
IBM Patent System 88908D1D801B9495EBC8AFC1138A7555
KEGG Ligand C11794
Metabolights MTBLC4650
PubChem 443408
SureChEMBL SCHEMBL164910
ZINC ZINC000004102215

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