General
Preferred name
BMS-1166
Synonyms
BMS1166 ()
PD-1/PD-L1-IN1 ()
BMS-1166 (hydrochloride) ()
BMS 1166 ()
BMS 1166 (hydrochloride) ()
P&D ID
PD060769
CAS
1818314-88-3
2113650-05-6
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION BMS-1166 is a small molecule that disrupts the PD-1/PD-L1 immune checkpoint interaction. It is the most potent of the [3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methanol derivatives described in , and it is claimed as Example 1166 in Bristol-Myers Squibb's patent WO2015160641A2 . NMR analysis suggests that BMS-1166 promotes the formation of dimeric PD-L1 in solution. (GtoPdb)
DESCRIPTION BMS-1166 is a small molecule that disrupts the PD-1/PD-L1 immune checkpoint interaction. It is the most potent of the [3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methanol derivatives described in . NMR analysis suggests that BMS-1166 promotes the formation of dimeric PD-L1 in solution.
Cell lines
1
Organisms
0
Compound Sets
6
Cayman Chemical Bioactives
31441
27774
CZ-OPENSCREEN Bioactive Library
Guide to Pharmacology
9608
MedChem Express Bioactive Compound Library
HY-102011
HY-102011A
Selleckchem Bioactive Compound Library
bms-1166
TargetMol Bioactive Compound Library
T5697
External IDs
16
Properties
(calculated by RDKit )
Molecular Weight
640.2
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
2
Rotatable Bonds
10
Ring Count
6
Aromatic Ring Count
4
cLogP
6.14
TPSA
121.48
Fraction CSP3
0.28
Chiral centers
2.0
Largest ring
6.0
QED
0.21
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
Apoptosis
Cell Cycle/Checkpoint
Target
PD-1/PD-L1?
PD-1/PD-L1
Source data