CODEINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC R05DA04
UNII UX6OWY2V7J
EPA CompTox DTXSID2020341

Structure

InChI Key OROGSEYTTFOCAN-DNJOTXNNSA-N
Smiles COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341
InChI
InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H21NO3
Molecular Weight 299.37
AlogP 1.5
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 41.93
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 5.7
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- 105 - 727 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 39.1
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - - 5.7
Homo sapiens
- - - - 39.1
Rattus norvegicus
- - - - 20-70

Related Entries

Environmental Exposure

Environmental Exposure Map
Countries
Croatia
Czech Republic
Germany
Hungary
Romania
Serbia
Slovakia
Slovenia

Cross References

Resources Reference
ChEBI 16714
ChEMBL CHEMBL485
DrugBank DB00318
DrugCentral 725
FDA SRS UX6OWY2V7J
Human Metabolome Database HMDB0004995
Guide to Pharmacology 1673
KEGG C06174
PharmGKB PA449088
PubChem 5362471
SureChEMBL SCHEMBL3257
ZINC ZINC000003806721
CONTENTS