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Compound Detail

CHEMBL556578

MORPHINE HYDROCHLORIDE
🧪 Phase III
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🧪 Phase III
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL556578
Name MORPHINE HYDROCHLORIDE
Phase Phase III
Structure Type MOL
InChI Key XCKKIKBIPZJUET-VYKNHSEDSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL70
Active Moiety CHEMBL70

Known Names

(-)-morphine hydrochloride Epimore Morph hcl Morphine chlorhydrate Morphine hcl Morphine hydro chloride Morphine hydrochloride Morphine hydrochloride hydrate Morphine hydrochloride trihydrate Morphini hydrochloridum Morphinum muriaticum Thebametten +1 more
4
Targets
11
Activities
2
Assay Types
1
PK Parameters
20
Publications
13
Known Names
4
Indications

Molecular Properties

285.3
MW (Da)
1.20
ALogP
4
HBA
2
HBD
52.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product

Extended Properties

Molecular Formula C17H20ClNO3
MW 321.80
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 2.59

Indications

Idiopathic Pulmonary Fibrosis Opioid-Related Disorders Pain Pulmonary Disease, Chronic Obstructive

Activity Summary

IC50 7 meas. best 10.3
Ki 4 meas. best 8.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Opioid receptor
CHEMBL2094129
 IC50 10.3 8.236 0.1 5
Mu-type opioid receptor
CHEMBL2858
 Ki 8.92 8.92 1.2 2
Dopamine receptor
CHEMBL2093868
 IC50 8.27 7.595 5.4 2
Delta-type opioid receptor
CHEMBL3222
 Ki 7.0 7.0 100.0 2

Pharmacokinetic Data

Parameter Value Units Species
Vd 2.6 L.kg-1 Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Opioid receptor IC50 = 0.05 nM 10.3 Concentration for 50% inhibition of [3H]naloxone (1 M) binding to opioid recepto... 6094809
Opioid receptor IC50 = 0.75 nM 9.12 Concentration for 50% inhibition of [3H]naloxone (1 M) binding to opioid recepto... 6094809
Mu-type opioid receptor Ki = 1.2 nM 8.92 Displacement of [3H]DAMGO from mu opioid receptor in CD1 mouse brain membranes a... 24095014
Mu-type opioid receptor Ki = 1.2 nM 8.92 Displacement of [3H]DAMGO from mu opioid receptor in CD1 mouse whole brain minus... 25562563
Opioid receptor IC50 = 1.6 nM 8.8 Ability to inhibit the specific binding of [3H]- dihydromorphine to opiate recep... 2888899
Dopamine receptor IC50 = 5.4 nM 8.27 Concentration inhibiting the specific binding of [3H]naloxone by 50% in the abse... 6198519
Delta-type opioid receptor Ki = 100.0 nM 7.0 Displacement of [3H]DPDPE from delta opioid receptor in CD1 mouse brain membrane... 24095014
Delta-type opioid receptor Ki = 100.0 nM 7.0 Displacement of [3H]DPDPE from delta opioid receptor in CD1 mouse whole brain mi... 25562563
Dopamine receptor IC50 = 120.0 nM 6.92 Concentration inhibiting the specific binding of [3H]naloxone by 50% in the pres... 6198519
Opioid receptor IC50 = 226.0 nM 6.65 Concentration that produces 50% inhibition of stereospecific [3H]naloxone bindin... 2153204
Opioid receptor IC50 = 487.0 nM 6.31 Concentration that produces 50% inhibition of stereospecific [3H]naloxone bindin... 2153204

Literature References

PubMed DOI Target Context # Activities
21059857 10.1124/dmd.110.036434 ADMET 11
21059857 10.1124/dmd.110.036434 Plasma 9
6198519 10.1021/jm00368a011 Mus musculus 8
69027 10.1021/jm00216a023 Mus musculus 6
671457 10.1021/jm00204a016 Mus musculus 3
401892 10.1021/jm00212a007 Mus musculus 3
6094809 10.1021/jm00378a009 Opioid receptor 3
3656354 10.1021/jm00393a017 Mus musculus 3
7143364 10.1021/jm00352a029 Cavia porcellus 2
69027 10.1021/jm00216a023 Unchecked 2
21059857 10.1124/dmd.110.036434 Ovis aries 2
2153204 10.1021/jm00163a040 Opioid receptor 2
- 10.1016/S0960-894X(00)80399-6 Mus musculus 2
21059857 10.1124/dmd.110.036434 Brain 2
6094809 10.1021/jm00378a009 Oryctolagus cuniculus 2
448688 10.1021/jm00193a027 Mus musculus 2
722735 10.1021/jm00210a017 Mus musculus 2
6446605 10.1021/jm00180a021 Mus musculus 2
6198519 10.1021/jm00368a011 Dopamine receptor 2
815550 10.1021/jm00225a021 Mus musculus 2

Data from ChEMBL 36 via Core Engine