APOMORPHINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC G04BE07 N04BC07
UNII N21FAR7B4S
EPA CompTox DTXSID8022614

Structure

InChI Key VMWNQDUVQKEIOC-CYBMUJFWSA-N
Smiles 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
Polar Surface Area 43.7
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 20.0

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
- 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
0.4-520.8 1-860 0.66-680 0.62-888 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 117-534 -
Other nuclear protein
- 195-215 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 69
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- - - 3.7 -
Canis lupus familiaris
- 25 - - -
Homo sapiens
1.585-520.8 4.2-215 680 0.62-660 40-69
Mus musculus
168-683 - - 101 -
Mustela putorius furo
1.5-1.8 - - - -
Oryctolagus cuniculus
44 - - - -
Rattus norvegicus
0.4-53 1.4-444 - 1.8-532 29-100
Sus scrofa
- - 0.66-127 - -

Cross References

Resources Reference
ChEBI 48538
ChEMBL CHEMBL53
DrugBank DB00714
DrugCentral 228
FDA SRS N21FAR7B4S
Human Metabolome Database HMDB0014852
Guide to Pharmacology 33
PDB OR9
PharmGKB PA164781163
PubChem 6005
SureChEMBL SCHEMBL8541
ZINC ZINC000000009073
CONTENTS