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Compound Detail

CHEMBL350384

BREMAZOCINE
🧪 Phase II
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🧪 Phase II
CCC12CCN(CC3(O)CC3)C(Cc3ccc(O)cc31)C2(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL350384
Name BREMAZOCINE
Phase Phase II
Structure Type MOL
InChI Key ZDXGFIXMPOUDFF-UHFFFAOYSA-N

Known Names

Bremazocina Bremazocine
6
Targets
11
Activities
2
Assay Types
0
PK Parameters
15
Publications
2
Known Names

Molecular Properties

315.5
MW (Da)
3.22
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic

Flags

Natural Product
USAN Stem -azocine

Extended Properties

Molecular Formula C20H29NO2
MW 315.46
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 1.08

Activity Summary

IC50 10 meas. best 9.3
Ki 1 meas. best 10.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Kappa-type opioid receptor
CHEMBL237
 Ki 10.4 10.4 0.0 1
Opioid receptors; mu/kappa/delta
CHEMBL2095181
 IC50 9.3 8.98 0.5 3
Mu-type opioid receptor
CHEMBL3041
 IC50 9.3 9.3 0.5 1
Kappa-type opioid receptor
CHEMBL3952
 IC50 8.92 8.92 1.2 2
Delta-type opioid receptor
CHEMBL236
 IC50 8.82 8.82 1.5 2
Mu-type opioid receptor
CHEMBL4354
 IC50 8.74 8.74 1.8 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Kappa-type opioid receptor Ki = 0.04 nM 10.4 Binding affinity to kappa opioid receptor 20478711
Opioid receptors; mu/kappa/delta IC50 = 0.5 nM 9.3 In vitro binding affinity against Opioid receptors from bovine caudate nucleus d... 2153826
Mu-type opioid receptor IC50 = 0.5 nM 9.3 Inhibition of 0.5 nM [3H]- Bremazocine binding to Opioid receptor mu 1 of bovine... 2165166
Kappa-type opioid receptor IC50 = 1.2 nM 8.92 Inhibition of opioid receptor kappa by displacing 0.5 nM [3H]bremazocine in guin... 1335078
Kappa-type opioid receptor IC50 = 1.2 nM 8.92 Displacement of 0.5 nM [3H]bremazocine from guinea pig brain membrane opioid rec... 1320121
Opioid receptors; mu/kappa/delta IC50 = 1.5 nM 8.82 Inhibition of total opioid receptor by displacing 0.5 nM [3H]bremazocine in guin... 1335078
Delta-type opioid receptor IC50 = 1.5 nM 8.82 Inhibition of Opioid receptor delta 1 by displacing 1 nM [3H]DPDPE in guinea pig... 1335078
Opioid receptors; mu/kappa/delta IC50 = 1.5 nM 8.82 Inhibition of 0.5 nM [3H]bremazocine binding to guinea pig brain membrane opioid... 1320121
Delta-type opioid receptor IC50 = 1.5 nM 8.82 Inhibition of [3H]DPDPE binding to guinea pig brain membrane Opioid receptor del... 1320121
Mu-type opioid receptor IC50 = 1.8 nM 8.74 Inhibition of opioid receptor mu by displacing 1 nM [3H]DAGO in guinea pig brain... 1335078
Mu-type opioid receptor IC50 = 1.8 nM 8.74 inhibition of 1.0 nM [3H]- DAGO binding to guinea pig brain membrane opioid rece... 1320121

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
1335078 10.1021/jm00102a012 Opioid receptors; mu/kappa/delta 1
1335078 10.1021/jm00102a012 Mu-type opioid receptor 1
1335078 10.1021/jm00102a012 Kappa-type opioid receptor 1
1335078 10.1021/jm00102a012 Delta-type opioid receptor 1
2153826 10.1021/jm00164a043 Opioid receptors; mu/kappa/delta 1
2165166 10.1021/jm00170a038 Mu-type opioid receptor 1
1320121 10.1021/jm00091a005 Opioid receptors; mu/kappa/delta 1
1320121 10.1021/jm00091a005 Mu-type opioid receptor 1
1320121 10.1021/jm00091a005 Kappa-type opioid receptor 1
1320121 10.1021/jm00091a005 Delta-type opioid receptor 1
19734051 10.1016/j.bmc.2009.08.022 Caco-2 1
20478711 10.1016/j.bmc.2010.04.069 Kappa-type opioid receptor 1
20478711 10.1016/j.bmc.2010.04.069 Unchecked 1
21458999 10.1016/j.bmc.2011.03.011 Caco-2 1

Data from ChEMBL 36 via Core Engine