APOMORPHINE

Search structure
Synonyms:
Status: Approved (2004)
Entry Type: Small molecule
Molecule Category: Parent
ATC: G04BE07
UNII: N21FAR7B4S

Structure
InChI Key VMWNQDUVQKEIOC-CYBMUJFWSA-N
Smile CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3
InChI
InChI=1S/C17H17NO2/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/t13-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H17NO2
Molecular Weight 267.33
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

Primary Target
D2 receptor
D3 receptor
D4 receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel 5HT3 receptor
- 4500-4500 - - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- 302 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 63-430 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
2-20 1-302 200-1600 1-244 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 4500-4500 - 117-534 -
Other nuclear protein
- 195-215 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 20800 - - 69

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alcoholism 2 D000437 ClinicalTrials
Hallucinations 2 D006212 ClinicalTrials
Brain Injuries 2 D001930 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 58-00-4
ChEBI 48538
ChEMBL CHEMBL53
DrugBank DB00714
DrugCentral 228
EPA CompTox DTXSID8022614
FDA SRS N21FAR7B4S
Human Metabolome Database HMDB0014852
Guide to Pharmacology 33
PDB OR9
PharmGKB PA164781163
PubChem 6005
SureChEMBL SCHEMBL8541
ZINC ZINC000000009073
CONTENTS