General
Preferred name
BU72
Synonyms
P&D ID
PD144019
Tags
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
BU72 was reported as a long-lasting μ receptor agonist . Its very high affinity meant that it was not considered as a clinical candidate. Strong lipophilic binding interactions with the μ receptor confer slow receptor kinetics, and therefore long duration of action.
We revised the chemical structure in March 2021, based on data arising from analysis of the crystal structure of the BU72/μ receptor complex that was deposited to the Protein Data Bank (5C1M) . This shows that the (β-phenyl) group of BU72 shoud be in the (R) configuration. BU72 has been used in a number of studies to model the μ receptor activation process . (GtoPdb)
We revised the chemical structure in March 2021, based on data arising from analysis of the crystal structure of the BU72/μ receptor complex that was deposited to the Protein Data Bank (5C1M) . This shows that the (β-phenyl) group of BU72 shoud be in the (R) configuration. BU72 has been used in a number of studies to model the μ receptor activation process . (GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
1
Guide to Pharmacology
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
3
Properties
(calculated by RDKit )
Molecular Weight
428.25
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
8
Aromatic Ring Count
2
cLogP
3.95
TPSA
44.73
Fraction CSP3
0.5
Chiral centers
7.0
Largest ring
6.0
QED
0.71
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data