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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1951706
CHEMBL1951706
Compound Name HYDROMORPHINOL
ChEMBL Synonyms HYDROMORPHINOL
Max Phase 0
Trade Names
Molecular Formula C17H21NO4

Additional synonyms for CHEMBL1951706 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@]2(O)CC[C@@H]4O)c35
Standard InChI InChI=1S/C17H21NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(1 ...
Download InChI
Standard InChI Key AABLHGPVOULICI-BRJGLHKUSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1951706

Molecule Features

CHEMBL1951706 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 HYDROMORPHINOL
The Cochrane Collaboration HYDROMORPHINOL

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 CHEMBL1951706. 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
CHEMBL4354 Mu opioid receptor Cavia porcellus 1.000
CHEMBL3952 Kappa opioid receptor Cavia porcellus 1.000
CHEMBL237 Kappa opioid 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
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 1.000
CHEMBL3041 Mu opioid receptor Bos taurus 1.000
CHEMBL270 Mu opioid receptor Rattus norvegicus 1.000
CHEMBL2858 Mu opioid receptor Mus musculus 1.000
CHEMBL2014 Nociceptin receptor Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.598
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.326



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL233 Mu opioid receptor Homo sapiens 1.000
CHEMBL236 Delta opioid receptor Homo sapiens 1.000
CHEMBL4354 Mu opioid receptor Cavia porcellus 1.000
CHEMBL3952 Kappa opioid receptor Cavia porcellus 1.000
CHEMBL2858 Mu opioid receptor Mus musculus 1.000
CHEMBL237 Kappa opioid 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
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 1.000
CHEMBL3041 Mu opioid receptor Bos taurus 1.000
CHEMBL270 Mu opioid receptor Rattus norvegicus 1.000
CHEMBL1795167 Toll-like receptor 4 Mus musculus 1.000
CHEMBL2014 Nociceptin receptor Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.930
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.875

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
303.4 303.1471 0.54 0 73.16 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.39 7.49 -.21 -.59 1 22 0.65

Structural Alerts

There are no structural alerts for CHEMBL1951706

Compound Cross References

ChemSpider ChemSpider:AABLHGPVOULICI-BRJGLHKUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1951706



ACToR 2183-56-4
DrugBank DB01512
EPA CompTox Dashboard DTXSID30176242
FDA SRS 1O00P9X5C1
IBM Patent System 981466CD86C8E2FF25DB097F2BFF520F
Nikkaji J7.353I
PubChem 5463858
PubChem: Thomson Pharma 14974363
SureChEMBL SCHEMBL161209
ZINC ZINC000004216508

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