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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL398707
CHEMBL398707
Compound Name HYDROMORPHONE
ChEMBL Synonyms DIHYDROMORPHINONE HYDROCHLORIDE | PALLADONE | HYDROMORPHONE HYDROCHLORIDE | Palladone | HYDROMORPHONE | DILAUDID | DILAUDID-HP | HYDROMORPHONE SULFATE | Dilaudid-HP | Dilaudid | PALLADONE-SR | EXALGO
Max Phase 4 (Approved)
Trade Names EXALGO | PALLADONE-SR | DILAUDID | DILAUDID-HP | HYDROMORPHONE HYDROCHLORIDE | PALLADONE
Molecular Formula C17H19NO3

Additional synonyms for CHEMBL398707 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CC[C@@]23[C@H]4CCC(=O)[C@@H]2Oc5c(O)ccc(C[C@@H]14)c35
Standard InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12( ...
Download InChI
Standard InChI Key WVLOADHCBXTIJK-YNHQPCIGSA-N

Sources

  • British National Formulary
  • Orange Book
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL398707

Molecule Features

CHEMBL398707 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:Y Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Mu opioid receptor agonist Mu opioid receptor DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
ConstipationD003248HP:0002019constipation2ClinicalTrials
PainD010146EFO:0003843pain4ATC
ClinicalTrials
ClinicalTrials
NeoplasmsD009369EFO:0000311cancer3ClinicalTrials
Opioid-Related DisordersD009293EFO:0005611opioid dependence2ClinicalTrials
Osteoarthritis, HipD015207EFO:1000786osteoarthritis, hip3ClinicalTrials
ClinicalTrials
Heroin DependenceD006556EFO:0004240heroin dependence3ClinicalTrials
MucositisD052016EFO:1001898mucositis3ClinicalTrials
Wounds and InjuriesD014947EFO:0000546injury1ClinicalTrials

Clinical Data

ClinicalTrials.gov HYDROMORPHONE
The Cochrane Collaboration HYDROMORPHONE

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 CHEMBL398707. 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
CHEMBL2858 Mu opioid receptor Mus musculus 1.000
CHEMBL270 Mu opioid receptor Rattus norvegicus 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
CHEMBL3998 Dopamine D2 receptor Bos taurus 0.866
CHEMBL2014 Nociceptin receptor Homo sapiens 0.782
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.775
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.482
CHEMBL1850 Dopamine D5 receptor Homo sapiens 0.239



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
CHEMBL270 Mu opioid receptor Rattus norvegicus 1.000
CHEMBL3041 Mu opioid receptor Bos taurus 1.000
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 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
CHEMBL1795167 Toll-like receptor 4 Mus musculus 1.000
CHEMBL3998 Dopamine D2 receptor Bos taurus 0.970
CHEMBL2014 Nociceptin receptor Homo sapiens 0.961
CHEMBL265 Dopamine D1 receptor Rattus norvegicus 0.615
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.482
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.428
CHEMBL1850 Dopamine D5 receptor Homo sapiens 0.327

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
285.3 285.1365 1.63 0 49.77 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.34 8.53 2.13 1.08 1 21 0.79

Structural Alerts

There are 1 structural alerts for CHEMBL398707. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N02 - ANALGESICS
N02A - OPIOIDS
N02AA - Natural opium alkaloids
N02AA03 - hydromorphone

ChemSpider ChemSpider:WVLOADHCBXTIJK-YNHQPCIGSA-N
DailyMed hydromorphone hydrochloride
Wikipedia Hydromorphone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL398707



ACToR 18145-12-5 466-99-9
BindingDB 50241341
Brenda 15785
ChEBI 5790
DrugBank DB00327
DrugCentral 1393
EPA CompTox Dashboard DTXSID8023133
FDA SRS Q812464R06
Guide to Pharmacology 7082
Human Metabolome Database HMDB0014472
IBM Patent System 7DE7106DBF10200969E258424AEF8D35
KEGG Ligand C07042
Metabolights MTBLC5790
Nikkaji J5.904H
PharmGKB PA449918
PubChem 5284570
PubChem: Thomson Pharma 14873177 14751077
SureChEMBL SCHEMBL2255
ZINC ZINC000000402954

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