APOMORPHINE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (2004)
Entry Type: Small molecule
Molecule Category: Salt
UNII: F39049Y068
Parent Compound: APOMORPHINE

Structure
InChI Key SKYZYDSNJIOXRL-BTQNPOSSSA-N
Smile CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3.Cl
InChI
InChI=1S/C17H17NO2.ClH/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;/h2-6,13,19-20H,7-9H2,1H3;1H/t13-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H18ClNO2
Molecular Weight 303.79
AlogP 2.85
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 0.0
Polar Surface Area 43.7
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Action Mechanism of Action Reference
AGONIST D2-like dopamine receptor agonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 26200 - - -
Enzyme Isomerase
- 14597 - - -
Enzyme Oxidoreductase
- 34600 - - -
Enzyme Transferase
- 520 - - 6
Enzyme
- 14597 - - 6
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -6.04-6.7
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 69.5 - 11.1-47.7 -
Other cytosolic protein
- 4378.68 - - -
Transcription factor
16913 9660-18865 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 72.73
Unclassified protein
- 9660-18865 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
17.92
General disorders and administration site conditions
17.35
Psychiatric disorders
10.1
Gastrointestinal disorders
8.5
Injury, poisoning and procedural complications
8.26
Vascular disorders
7.99
Skin and subcutaneous tissue disorders
6.93
Cardiac disorders
5.91
Respiratory, thoracic and mediastinal disorders
5.24
Musculoskeletal and connective tissue disorders
3.82
Investigations
2.54

Cross References

Resources Reference
ChEBI 48538
ChEMBL CHEMBL1616
EPA CompTox DTXSID5040598
FDA SRS F39049Y068
Guide to Pharmacology 33
KEGG D07460
PubChem 9410
SureChEMBL SCHEMBL8524
ZINC ZINC00009073
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