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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL70
CHEMBL70
Compound Name MORPHINE
ChEMBL Synonyms DURAMORPH | MST CONTINUS | RHOTARD | ASTRAMORPH PF | Avinza | MORPH HCL | MORPHINE HYDROCHLORIDE | Morphine Hydro Chloride | FILNARINE SR | ORAMORPH SR | ORAMORPH | MS CONTIN | DEPODUR | DUROMORPH | MORPHINE | Kadian | ZOMORPH | MORPHINE SULFATE | KADIAN | AVINZA | ARYMO ER | INFUMORPH | SEVREDOL | MORPHABOND | Infumorph | MORPHABOND ER | MORAXEN | Depodur | SRM-RHOTARD | ORAMORPH UDV | MORPHGESIC SR | MORCAP SR | DURAMORPH PF
Max Phase 4 (Approved)
Trade Names DURAMORPH | DUROMORPH | INFUMORPH | FILNARINE SR | MST CONTINUS | RHOTARD | DURAMORPH PF | MORCAP SR | MORPHGESIC SR | ORAMORPH UDV | SRM-RHOTARD | MORPH HCL | MORAXEN | MORPHABOND ER | MORPHABOND | SEVREDOL | ARYMO ER | AVINZA | KADIAN | MORPHINE SULFATE | ZOMORPH | DEPODUR | MS CONTIN | ORAMORPH | ORAMORPH SR | ASTRAMORPH PF
Molecular Formula C17H19NO3

Additional synonyms for CHEMBL70 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@@H]2C=C[C@@H]4O)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 BQJCRHHNABKAKU-KBQPJGBKSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL70

Molecule Features

CHEMBL70 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 FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Fractures, BoneD050723EFO:0003931bone fracture3ClinicalTrials
Kidney CalculiD007669EFO:0003845kidney stone3ClinicalTrials
Neonatal Abstinence SyndromeD009357EFO:0005799neonatal abstinence syndrome3ClinicalTrials
ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm3ClinicalTrials
PainD010146EFO:0003843pain4ATC
ATC
ClinicalTrials
ClinicalTrials
Pulmonary Disease, Chronic ObstructiveD029424EFO:0000341chronic obstructive pulmonary disease3ClinicalTrials
Rotator Cuff InjuriesD000070636EFO:1001250rotator cuff tear2ClinicalTrials
StomatitisD013280EFO:1001904oral mucositis2ClinicalTrials
Opioid-Related DisordersD009293EFO:0005611opioid dependence3ClinicalTrials
ClinicalTrials
ClinicalTrials
Restless Legs SyndromeD012148EFO:0004270restless legs syndrome1ClinicalTrials
HemorrhageD006470MP:0001914hemorrhage2ClinicalTrials
MucositisD052016EFO:1001898mucositis2ClinicalTrials
Postoperative ComplicationsD011183EFO:0005323post-operative sign or symptom2ClinicalTrials
Prostatic NeoplasmsD011471EFO:0001663prostate carcinoma3ClinicalTrials
Osteoarthritis, KneeD020370EFO:0004616osteoarthritis, knee2ClinicalTrials
Myocardial InfarctionD009203EFO:0000612myocardial infarction3ClinicalTrials
ClinicalTrials
Renal ColicD056844EFO:1001412Renal Colic3ClinicalTrials
Sleep Apnea, ObstructiveD020181EFO:0003918obstructive sleep apnea3ClinicalTrials
ClinicalTrials
ConstipationD003248HP:0002019constipation1ClinicalTrials
Diabetic NeuropathiesD003929EFO:1000783diabetic neuropathy2ClinicalTrials
Heroin DependenceD006556EFO:0004240heroin dependence1ClinicalTrials
NeuralgiaD009437EFO:0005762neuropathic pain2ClinicalTrials
ScoliosisD012600EFO:0004273scoliosis3ClinicalTrials
ClinicalTrials
TonsillitisD0140692ClinicalTrials
Hypertension, PulmonaryD006976EFO:0001361pulmonary hypertension2ClinicalTrials
OsteoarthritisD010003EFO:0002506osteoarthritis2ClinicalTrials
PregnancyD011247EFO:0002950pregnancy3ClinicalTrials
PruritusD011537HP:0000989Pruritus3ClinicalTrials
ClinicalTrials
NeoplasmsD009369EFO:0000311cancer3ClinicalTrials
ClinicalTrials
ObesityD009765EFO:0001073obesity3ClinicalTrials
Premature BirthD047928EFO:0003917premature birth2ClinicalTrials
Rheumatic DiseasesD012216EFO:0005755rheumatic disease1ClinicalTrials
Wounds and InjuriesD014947EFO:0000546injury3ClinicalTrials
Hallux ValgusD0062152ClinicalTrials

Clinical Data

ClinicalTrials.gov MORPHINE
The Cochrane Collaboration MORPHINE

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 CHEMBL70. 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
CHEMBL4329 Kappa opioid receptor Mus musculus 1.000
CHEMBL3222 Delta opioid receptor Mus musculus 1.000
CHEMBL3041 Mu opioid receptor Bos taurus 1.000
CHEMBL270 Mu opioid receptor Rattus norvegicus 1.000
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 1.000
CHEMBL2858 Mu opioid receptor Mus musculus 1.000
CHEMBL3952 Kappa opioid receptor Cavia porcellus 1.000
CHEMBL4354 Mu opioid receptor Cavia porcellus 1.000
CHEMBL269 Delta opioid receptor Rattus norvegicus 1.000
CHEMBL287 Sigma opioid receptor Homo sapiens 0.280



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL233 Mu opioid receptor Homo sapiens 1.000
CHEMBL236 Delta opioid receptor Homo sapiens 1.000
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 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
CHEMBL3041 Mu opioid receptor Bos taurus 1.000
CHEMBL270 Mu opioid receptor Rattus norvegicus 1.000
CHEMBL2858 Mu opioid receptor Mus musculus 1.000
CHEMBL269 Delta opioid receptor Rattus norvegicus 1.000
CHEMBL1795167 Toll-like receptor 4 Mus musculus 0.991
CHEMBL287 Sigma opioid receptor Homo sapiens 0.732
CHEMBL4822 Beta-secretase 1 Homo sapiens 0.214

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
285.3 285.1365 1.2 0 52.93 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.48 8.25 .87 .04 1 21 0.7

Structural Alerts

There are 1 structural alerts for CHEMBL70. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N02 - ANALGESICS
N02A - OPIOIDS
N02AA - Natural opium alkaloids
N02AA51 - morphine, combinations

N - NERVOUS SYSTEM
N02 - ANALGESICS
N02A - OPIOIDS
N02AA - Natural opium alkaloids
N02AA01 - morphine

A - ALIMENTARY TRACT AND METABOLISM
A07 - ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
A07D - ANTIPROPULSIVES
A07DA - Antipropulsives
A07DA52 - morphine, combinations

ChemSpider ChemSpider:BQJCRHHNABKAKU-KBQPJGBKSA-N
DailyMed morphine sulfate
Wikipedia Morphine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL70



ACToR 57-27-2 47106-99-0
Atlas morphine
BindingDB 50000092
Brenda 1050
ChEBI 17303
DrugBank DB00295
DrugCentral 1845
eMolecules 6843460
EPA CompTox Dashboard DTXSID9023336
FDA SRS 76I7G6D29C
Guide to Pharmacology 1627
Human Metabolome Database HMDB0014440
IBM Patent System 534DDCA63F163B84DBB31E73BE06632D
KEGG Ligand C01516
Metabolights MTBLC17303
Nikkaji J2.323J
PDBe MOI
PharmGKB PA450550
PubChem 5288826
PubChem: Thomson Pharma 14775492 14897787
SureChEMBL SCHEMBL2997
ZINC ZINC000003812983

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