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Compound Detail

CHEMBL26915

SC-560
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COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL26915
Name SC-560
Phase Preclinical
Structure Type MOL
InChI Key PQUGCKBLVKJMNT-UHFFFAOYSA-N
6
Targets
31
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

352.7
MW (Da)
5.22
ALogP
3
HBA
0
HBD
27.1
PSA (Ų)
0.65
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug Chemical Probe

Extended Properties

Molecular Formula C17H12ClF3N2O
MW 352.74
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.32

Activity Summary

IC50 31 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin G/H synthase 1
CHEMBL2949
 IC50 8.22 7.765 6.0 8
Prostaglandin G/H synthase 1
CHEMBL221
 IC50 8.15 7.8433 7.0 9
Prostaglandin G/H synthase 2
CHEMBL230
 IC50 5.99 4.74 1030.0 5
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 5.25 5.25 5600.0 1
Plasmodium falciparum
CHEMBL364
 IC50 5.0 4.9667 10000.0 6
Prostaglandin G/H synthase 2
CHEMBL4102
 IC50 4.13 4.13 74900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prostaglandin G/H synthase 1 IC50 = 6.0 nM 8.22 Inhibition of ovine COX-1 assessed as reduction in PGE2 production using 10 uM a... 33854702
Prostaglandin G/H synthase 1 IC50 = 7.0 nM 8.15 In vitro inhibitory concentration required to block recombinant human prostaglan... 9135032
Prostaglandin G/H synthase 1 IC50 = 7.0 nM 8.15 Inhibition of ovine COX-1 assessed as inhibition of PGH2 production using arachi... 25768707
Prostaglandin G/H synthase 1 IC50 = 7.8 nM 8.11 Inhibition of COX1 21106277
Prostaglandin G/H synthase 1 IC50 = 8.0 nM 8.1 Inhibition of COX1 in human OVCAR-3 cells assessed as reduction in PGE2 level in... 34055228
Prostaglandin G/H synthase 1 IC50 = 8.5 nM 8.07 Inhibition of ovine COX1 by fluorescence assay 22475926
Prostaglandin G/H synthase 1 IC50 = 9.0 nM 8.05 Inhibition of COX1 22263894
Prostaglandin G/H synthase 1 IC50 = 8.9 nM 8.05 Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins p... 23473947
Prostaglandin G/H synthase 1 IC50 = 9.0 nM 8.05 Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate pretrea... 37409679
Prostaglandin G/H synthase 1 IC50 = 10.0 nM 8.0 Inhibition of COX1 by microplate reader 20540535
Prostaglandin G/H synthase 1 IC50 = 10.0 nM 8.0 Inhibition of ovine COX1 using arachidonic acid as substrate pretreated for 5 mi... 31301566
Prostaglandin G/H synthase 1 IC50 = 10.0 nM 8.0 Inhibition of recombinant ovine COX1 34055228
Prostaglandin G/H synthase 1 IC50 = 39.0 nM 7.41 Inhibition of ovine recombinant COX1 assessed as decrease in formation of PGE2 u... 31774676
Prostaglandin G/H synthase 1 IC50 = 53.0 nM 7.28 Inhibition of human COX-1 preincubated for 15 mins followed by fluorometric subs... 28475316
Prostaglandin G/H synthase 1 IC50 = 70.0 nM 7.16 Inhibition of ovine COX-1 38219659
Prostaglandin G/H synthase 1 IC50 = 77.0 nM 7.11 Inhibition of ovine COX1 by peroxidase activity-based colorimetric assay 24531199
Prostaglandin G/H synthase 1 IC50 = 160.0 nM 6.8 Inhibition of COX-1 in human OVCAR3 cells using [14C] arachidonic acid as substr... 22263894
Prostaglandin G/H synthase 2 IC50 = 1030.0 nM 5.99 Inhibition of human recombinant COX-2 assessed as reduction in PGE2 production u... 33854702
NON-PROTEIN TARGET IC50 = 5600.0 nM 5.25 Cytotoxicity against human COLO320 cells after 72 hrs by WST-1 assay 20801552
Prostaglandin G/H synthase 2 IC50 = 6300.0 nM 5.2 Inhibition of COX2 22263894

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5303304 Fibroblast 16
14736236 10.1021/jm030912m Oryctolagus cuniculus 7
- 10.6019/CHEMBL4495565 SARS-CoV-2 6
19734910 10.1038/nchembio.215 Plasmodium falciparum 6
- 10.6019/CHEMBL5303304 U2OS 5
- 10.6019/CHEMBL5303304 HEK-293T 4
16513348 10.1016/j.bmcl.2006.02.021 HUVEC 3
19178292 10.1021/jm8009876 MC9 3
18498150 10.1021/jm701467e MC9 3
28530811 10.1021/acs.jmedchem.7b00475 Unchecked 3
24531199 10.1016/j.ejmech.2013.12.023 Prostaglandin G/H synthase 1 2
34055228 10.1021/acsmedchemlett.1c00065 Prostaglandin G/H synthase 1 2
31774676 10.1021/acs.jnatprod.9b00538 Prostaglandin G/H synthase 1 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
24183739 10.1016/j.bmc.2013.10.006 Prostaglandin G/H synthase 1 2
- 10.6019/CHEMBL4495565 ADMET 2
- 10.6019/CHEMBL4495565 Vero C1008 2
22263894 10.1021/jm201528b Prostaglandin G/H synthase 1 2
22449023 10.1021/jm201687d Prostaglandin G/H synthase 1 2

Data from ChEMBL 36 via Core Engine