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SIMM · NJU
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SIMM · NJU
Compound
PGDB_C008731
31 activity records
9 related patents
2D structure
Cc1nc2cccc(N)c2c(=O)n1C1CCC(=O)NC1=O
Compound summary
Compound ID
PGDB_C008731
Formula
C14H14N4O3
Molecular weight
286.291
InChIKey
RSNPAKAFCAAMBH-UHFFFAOYSA-N
Physicochemical properties
Exact mass
286.1066
RDKit cLogP
0.26
TPSA
107.1
HBD / HBA
2 / 6
Rotatable bonds
1
Heavy atoms
21
Hetero atoms
7
Rings / aromatic
3 / 2
Fraction Csp3
0.29
Formal charge
0
Fragments
1
Activity compounds and values
Activity records
31 records
Structure
Metric
Control
Relation
Value
Unit
Concentration
Time
Target
E3
Cell line
Patent
Record ID
Compound
Assay
Details
IC50
-
=
0.072
uM
-
—
-
-
H929
CN116457344A
PGDB_A007061
PGDB_C008731
PGDB_AS000797
View
IC50
-
=
1653.2
nM
-
—
-
-
Daudi
WO2023151635A1
PGDB_A007197
PGDB_C008731
PGDB_AS000279
View
IC50
-
=
0.034
uM
-
—
-
-
-
JP6306592B2
PGDB_A008691
PGDB_C008731
PGDB_AS000268
View
IC50
-
=
1.07
uM
-
—
CRBN
CRBN
-
WO2023151635A1
PGDB_A008767
PGDB_C008731
PGDB_AS000788
View
Ki
-
=
1-5
uM
-
—
CRBN
CRBN
-
WO2022146151A1
PGDB_A011992
PGDB_C008731
PGDB_AS002364
View
IC50
-
=
0.95
uM
-
—
-
-
-
JP6306592B2
PGDB_A016472
PGDB_C008731
PGDB_AS001022
View
Ki
-
=
1-10
uM
-
—
CRBN
CRBN
-
AU2020392427A1
PGDB_A018383
PGDB_C008731
PGDB_AS000153
View
Relative activity
control
=
480
%
-
-
-
-
-
JP6306592B2
PGDB_A022040
PGDB_C008731
PGDB_AS002248
View
IC50
-
=
1326
nM
-
—
-
-
Ramos
WO2023151635A1
PGDB_A023324
PGDB_C008731
PGDB_AS002135
View
IC50
-
>
10000
nM
-
—
-
-
Kasumi-1
WO2023151635A1
PGDB_A030941
PGDB_C008731
PGDB_AS001646
View
IC50
-
=
0.062
uM
-
—
-
-
-
JP6306592B2
PGDB_A032017
PGDB_C008731
PGDB_AS000318
View
IC50
-
=
0.15-20
uM
-
—
-
-
Mino
WO2020114482A1
PGDB_A035658
PGDB_C008731
PGDB_AS000154
View
IC50
-
>
10
uM
-
—
-
-
-
JP6306592B2
PGDB_A040215
PGDB_C008731
PGDB_AS001058
View
IC50
-
=
464.4
nM
-
—
-
-
MM.1R
WO2023151635A1
PGDB_A041227
PGDB_C008731
PGDB_AS001111
View
IC50
-
>
20
uM
-
—
-
-
MV-4-11
WO2020114482A1
PGDB_A041815
PGDB_C008731
PGDB_AS001277
View
Relative activity
control
=
131
%
-
-
-
-
-
JP6306592B2
PGDB_A046228
PGDB_C008731
PGDB_AS001193
View
% Inhibition
-
>
20
%
-
7 d
-
-
MV-4-11
WO2020064002A1
PGDB_A050571
PGDB_C008731
PGDB_AS001761
View
IC50
-
=
46.9
nM
-
—
-
-
MM.1S
WO2023151635A1
PGDB_A051193
PGDB_C008731
PGDB_AS002383
View
IC50
-
=
890.3
nM
-
—
-
-
TMD8
WO2023151635A1
PGDB_A051539
PGDB_C008731
PGDB_AS000648
View
IC50
-
=
0.06
uM
-
—
-
-
-
JP6306592B2
PGDB_A053960
PGDB_C008731
PGDB_AS000129
View