MORPHINE HYDROCHLORIDE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Salt
UNII: J28GE0ROVX
Parent Compound: MORPHINE

Structure
InChI Key XCKKIKBIPZJUET-VYKNHSEDSA-N
Smile CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5.Cl
InChI
InChI=1S/C17H19NO3.ClH/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1H/t10-,11+,13-,16-,17-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H20ClNO3
Molecular Weight 321.8
AlogP 1.2
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 0.0
Polar Surface Area 52.93
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- 0-487 - 100-100 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 5-120 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Opioid-Related Disorders 3 D009293 ClinicalTrials
Idiopathic Pulmonary Fibrosis 3 D054990 ClinicalTrials
Pulmonary Disease, Chronic Obstructive 1 D029424 ClinicalTrials

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEBI 55340
ChEMBL CHEMBL556578
EPA CompTox DTXSID10110023
FDA SRS J28GE0ROVX
PubChem 5464110
SureChEMBL SCHEMBL40902
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