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SIMM · NJU
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SIMM · NJU
Compound
PGDB_C011097
21 activity records
6 related patents
2D structure
O=C1CCC(c2cccc(-c3ccc4c(c3)cc3n4CCC3)c2Cl)C(=O)N1
Compound summary
Compound ID
PGDB_C011097
Formula
C22H19ClN2O2
Molecular weight
378.859
InChIKey
COOQOKCWUTVQPQ-UHFFFAOYSA-N
Physicochemical properties
Exact mass
378.1135
RDKit cLogP
4.43
TPSA
51.1
HBD / HBA
1 / 3
Rotatable bonds
2
Heavy atoms
27
Hetero atoms
5
Rings / aromatic
5 / 3
Fraction Csp3
0.27
Formal charge
0
Fragments
1
Activity compounds and values
Activity records
21 records
Structure
Metric
Control
Relation
Value
Unit
Concentration
Time
Target
E3
Cell line
Patent
Record ID
Compound
Assay
Details
% Degradation
-
=
25-75
%
100 nM
-
VAV1
-
Jurkat
WO2026061428A1
PGDB_A006047
PGDB_C011097
PGDB_AS000798
View
% Degradation
-
=
25-75
%
10 nM
-
-
-
Jurkat
WO2026061428A1
PGDB_A006460
PGDB_C011097
PGDB_AS001404
View
DC50
-
=
3
nM
-
—
NEK7
-
CAL-51
WO2025024521A1
PGDB_A008322
PGDB_C011097
PGDB_AS001365
View
DC50
-
<
0.5
uM
-
—
SMARCA2
-
HeLa
WO2025101944
PGDB_A010817
PGDB_C011097
PGDB_AS000900
View
EC50
-
=
0.053
uM
-
—
WEE1
-
MKN45
WO2025137053A1
PGDB_A016739
PGDB_C011097
PGDB_AS002043
View
Ymin
-
=
28.1
%
Concentration series: 1 uM, 10 uM
120 h
WEE1
-
MKN45
WO2025137053A1
PGDB_A019038
PGDB_C011097
PGDB_AS000997
View
% Degradation
-
<
25
%
1 nM
24 h
-
-
Jurkat
CN121698875A
PGDB_A021451
PGDB_C011097
PGDB_AS001370
View
EC50
-
=
0.234
uM
-
—
WEE1
-
MDA-MB-231
WO2025137053A1
PGDB_A024189
PGDB_C011097
PGDB_AS001832
View
Dmax
-
=
94
%
Concentration series: 1 uM, 0.05 nM
24 h
NEK7
-
CAL-51
WO2025024521A1
PGDB_A026395
PGDB_C011097
PGDB_AS002061
View
% Degradation
-
>=
25
%
10 nM
24 h
-
-
Jurkat
CN121698875A
PGDB_A028691
PGDB_C011097
PGDB_AS000715
View
% Degradation
-
>=
25
%
100 nM
24 h
-
-
Jurkat
CN121698875A
PGDB_A031878
PGDB_C011097
PGDB_AS000610
View
CC50
-
=
200
uM
-
—
14-3-3 sigma delta-C
-
-
US20230142739A1
PGDB_A033806
PGDB_C011097
PGDB_AS000437
View
EC50
-
=
0.11
uM
-
—
CRBN
CRBN
-
WO2025024521A1
PGDB_A051832
PGDB_C011097
PGDB_AS001033
View
EC50
-
=
0.339
uM
-
—
WEE1
-
293T-LentiXWEE1-ePL
WO2025137053A1
PGDB_A056537
PGDB_C011097
PGDB_AS001798
View
Ymin
-
=
73.8
%
Concentration series: 1 uM, 10 uM
120 h
WEE1
-
MDA-MB-231
WO2025137053A1
PGDB_A056734
PGDB_C011097
PGDB_AS002525
View
% Degradation
-
=
30-70
%
1 uM
24 h
SMARCA4
-
HeLa
WO2025101944
PGDB_A059330
PGDB_C011097
PGDB_AS002120
View
DC50
-
<
0.5
uM
-
—
SMARCA4
-
HeLa
WO2025101944
PGDB_A059818
PGDB_C011097
PGDB_AS000431
View
Kd
-
=
9.09
uM
-
—
-
-
-
US20230142739A1
PGDB_A065528
PGDB_C011097
PGDB_AS000811
View
Ymin
-
=
33.4
%
Concentration series: 1 uM, 10 uM
4 h
WEE1
-
293T-LentiXWEE1-ePL
WO2025137053A1
PGDB_A074064
PGDB_C011097
PGDB_AS001848
View
% Degradation
-
=
30-70
%
1 uM
24 h
SMARCA2
-
HeLa
WO2025101944
PGDB_A075505
PGDB_C011097
PGDB_AS001961
View