MORPHINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC N02AA01
UNII 76I7G6D29C
EPA CompTox DTXSID9023336

Structure

InChI Key BQJCRHHNABKAKU-KBQPJGBKSA-N
Smiles CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5
InChI
InChI=1S/C17H19NO3/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/t10-,11+,13-,16-,17-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H19NO3
Molecular Weight 285.34
AlogP 1.2
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
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(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 5.3
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
3-780 0.027-736 - 0.14-710 1-100
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
3 - - - 25
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 67.9
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- - - - 2
Unclassified protein
- - - 223 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- - - 2.5-280 -
Cavia porcellus
51-127.4 0.13-530 6.31 0.13-710 5.3-100
Cricetulus griseus
- - - 0.88-140 72-100
Danio rerio
- - - 187-223 -
Homo sapiens
3.7-780 2.5-410 - 0.53-605 31-98
Mus musculus
30-400 1.27-644 - 0.09-90 50.7-100
Rattus norvegicus
3-194 1.94-684 - 1.45-217 40-70

Related Entries

Environmental Exposure

Environmental Exposure Map
Countries
Croatia
Hungary
Romania
Slovenia

Cross References

Resources Reference
ChEBI 17303
ChEMBL CHEMBL70
DrugBank DB00295
DrugCentral 1845
FDA SRS 76I7G6D29C
Human Metabolome Database HMDB0014440
Guide to Pharmacology 1627
KEGG C01516
PDB MOI
PharmGKB PA450550
PubChem 5288826
SureChEMBL SCHEMBL2997
ZINC ZINC000003812983
CONTENTS