CEBRANOPADOL

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Synonyms
Status
Molecule Category Free-form
UNII 7GDW9S3GN3

Structure

InChI Key CSMVOZKEWSOFER-RQNOJGIXSA-N
Smiles CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3cc(F)ccc3[nH]c12
InChI
InChI=1S/C24H27FN2O/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22/h3-9,16,26H,10-15H2,1-2H3/t23-,24-

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H27FN2O
Molecular Weight 378.49
AlogP 5.11
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 28.26
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Nociceptin receptor agonist AGONIST PubMed Wikipedia PubMed
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
1.2-13 - - 0.7-0.9 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
1.2-13 - - 0.7-0.9 -

Target Conservation

Protein: Opioid receptors; mu/kappa/delta
Description: Mu-type opioid receptor
Organism : Homo sapiens
P35372 ENSG00000112038
Protein: Opioid receptors; mu/kappa/delta
Description: Delta-type opioid receptor
Organism : Homo sapiens
P41143 ENSG00000116329
Protein: Opioid receptors; mu/kappa/delta
Description: Kappa-type opioid receptor
Organism : Homo sapiens
P41145 ENSG00000082556
Protein: Nociceptin receptor
Description: Nociceptin receptor
Organism : Homo sapiens
P41146 ENSG00000125510

Cross References

Resources Reference
ChEMBL CHEMBL2364605
DrugBank DB12830
FDA SRS 7GDW9S3GN3
Guide to Pharmacology 8866
PubChem 11848225
SureChEMBL SCHEMBL10035739
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