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SIMM · NJU
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SIMM · NJU
Compound
PGDB_C001322
11 activity records
2 related patents
2D structure
O=C1CCC(N2Cc3cc(C(=O)c4cc5ccccc5o4)ccc3C2=O)C(=O)N1
Compound summary
Compound ID
PGDB_C001322
Formula
C22H16N2O5
Molecular weight
388.379
InChIKey
OCKGJBFKHMTLFG-UHFFFAOYSA-N
Physicochemical properties
Exact mass
388.1059
RDKit cLogP
2.42
TPSA
96.7
HBD / HBA
1 / 5
Rotatable bonds
3
Heavy atoms
29
Hetero atoms
7
Rings / aromatic
5 / 3
Fraction Csp3
0.18
Formal charge
0
Fragments
1
Activity compounds and values
Activity records
11 records
Structure
Metric
Control
Relation
Value
Unit
Concentration
Time
Target
E3
Cell line
Patent
Record ID
Compound
Assay
Details
% Degradation
-
=
90-100
%
10 uM
24 h
GSPT1
-
Jurkat
WO2025110699A1
PGDB_A007052
PGDB_C001322
PGDB_AS001994
View
Relative binding
Ctrl @ 5uM
<
0.1
%
5 uM
1 h
CRBN
CRBN
HEK-293
KR20250075510A
PGDB_A007466
PGDB_C001322
PGDB_AS000026
View
% Degradation
-
=
70-90
%
0.1 uM
24 h
GSPT1
-
Jurkat
KR20250075510A
PGDB_A014409
PGDB_C001322
PGDB_AS002288
View
Relative binding
Ctrl @ 5uM
<
0.1
%
5 uM
1 h
CRBN
CRBN
HEK293
WO2025110699A1
PGDB_A034373
PGDB_C001322
PGDB_AS001966
View
% Degradation
-
=
90-100
%
10 uM
24 h
GSPT1
-
Jurkat
KR20250075510A
PGDB_A035040
PGDB_C001322
PGDB_AS001448
View
% Degradation
-
=
70-90
%
0.1 uM
24 h
GSPT1
-
Jurkat
WO2025110699A1
PGDB_A037136
PGDB_C001322
PGDB_AS001067
View
% Degradation
-
=
90-100
%
1 uM
24 h
GSPT1
-
Jurkat
KR20250075510A
PGDB_A046422
PGDB_C001322
PGDB_AS000601
View
GI50
-
<=
0.1
uM
-
—
GSPT1
-
MM.1S
WO2025110699A1
PGDB_A046844
PGDB_C001322
PGDB_AS002497
View
GI50
-
<=
0.1
uM
-
—
GSPT1
-
Jurkat
WO2025110699A1
PGDB_A047213
PGDB_C001322
PGDB_AS001887
View
GI50
-
<=
0.1
nM
-
—
GSPT1
-
Jurkat
KR20250075510A
PGDB_A063442
PGDB_C001322
PGDB_AS000013
View
% Degradation
-
=
90-100
%
1 uM
24 h
GSPT1
-
Jurkat
WO2025110699A1
PGDB_A076234
PGDB_C001322
PGDB_AS001008
View