BUPRENORPHINE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 56W8MW3EN1
Parent Compound:

Structure

InChI Key UAIXRPCCYXNJMQ-HPRIMLMLSA-N
Smiles CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5.Cl
InChI
InChI=1S/C29H41NO4.ClH/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28;/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3;1H/t20-,21-,24-,26+,27-,28+,29+;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H42ClNO4
Molecular Weight 504.11
AlogP 4.41
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 62.16
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 34.0

Pharmacology

Mechanism of Action Action Reference
Kappa opioid receptor agonist AGONIST PubMed DailyMed
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
- 0.9-1.7 - - -

Target Conservation

Protein: Mu opioid receptor
Description: Mu-type opioid receptor
Organism : Homo sapiens
P35372 ENSG00000112038
Protein: Kappa opioid receptor
Description: Kappa-type opioid receptor
Organism : Homo sapiens
P41145 ENSG00000082556

Cross References

Resources Reference
ChEMBL CHEMBL2368861
FDA SRS 56W8MW3EN1
PubChem 3033050
SureChEMBL SCHEMBL42107
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