Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL274893

SC-57666
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)CCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL274893
Name SC-57666
Phase Preclinical
Structure Type MOL
InChI Key GJGZQTGPOKPFES-UHFFFAOYSA-N
2
Targets
10
Activities
1
Assay Types
2
PK Parameters
20
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
4.32
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17FO2S
MW 316.40
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.84

Activity Summary

IC50 10 meas. best 8.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin G/H synthase 2
CHEMBL230
 IC50 8.59 7.6143 2.6 7
Prostaglandin G/H synthase 1
CHEMBL221
 IC50 4.52 4.52 30000.0 3

Pharmacokinetic Data

Parameter Value Units Species
F 11.0 % Rattus norvegicus
T1/2 1.6 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prostaglandin G/H synthase 2 IC50 = 2.6 nM 8.59 Inhibitory activity against prostaglandin G/H synthase 2 (COX-2). 8568815
Prostaglandin G/H synthase 2 IC50 = 25.7 nM 7.59 Inhibition of human Prostaglandin G/H synthase 2 11563921
Prostaglandin G/H synthase 2 IC50 = 26.0 nM 7.58 Tested for inhibition against Prostaglandin G/H synthase 2 7966148
Prostaglandin G/H synthase 2 IC50 = 26.0 nM 7.58 In vitro inhibition of prostaglandin G/H synthase 2 (COX-2). 7473585
Prostaglandin G/H synthase 2 IC50 = 26.0 nM 7.58 In vitro inhibitory activity against inducible form of human recombinant Prostag... -
Prostaglandin G/H synthase 2 IC50 = 26.0 nM 7.58 Inhibition of recombinant human COX-2 expressed in Baculovirus infected sf9 cell... 30396033
Prostaglandin G/H synthase 2 IC50 = 160.0 nM 6.8 Inhibitory activity against human recombinant Prostaglandin G/H synthase 2 expre... -
Prostaglandin G/H synthase 1 IC50 = 30000.0 nM 4.52 Inhibition of Prostaglandin G/H synthase 1 (COX-1). 9544212
Prostaglandin G/H synthase 1 IC50 = 30000.0 nM 4.52 Concentration (in uM) to inhibit 50% of Prostaglandin G/H synthase 1 (COX-1) and... 9544211
Prostaglandin G/H synthase 1 IC50 = 30000.0 nM 4.52 Inhibitory activity against prostaglandin G/H synthase 1 (COX-1) 9719605

Literature References

PubMed DOI Target Context # Activities
7966148 10.1021/jm00049a005 Prostaglandin G/H synthase 2 2
7473585 10.1021/jm00022a023 Rattus norvegicus 2
7473585 10.1021/jm00022a023 Prostaglandin G/H synthase 2 1
30396033 10.1016/j.ejmech.2018.10.054 Prostaglandin G/H synthase 2 1
- 10.1016/0960-894X(95)00131-C Prostaglandin G/H synthase 2 1
- 10.1016/0960-894X(95)00131-C Prostaglandin G/H synthase 1 1
8568815 10.1021/jm950664x Rattus norvegicus 1
8568815 10.1021/jm950664x ADMET 1
8568815 10.1021/jm950664x Prostaglandin G/H synthase 1 1
8568815 10.1021/jm950664x Prostaglandin G/H synthase 2 1
7473585 10.1021/jm00022a023 Cyclooxygenase 1
7473585 10.1021/jm00022a023 Prostaglandin G/H synthase 1 1
11563921 10.1021/jm0101343 Prostaglandin G/H synthase 2 1
- 10.1016/0960-894X(95)00564-A Cyclooxygenase 1
- 10.1016/0960-894X(95)00564-A Prostaglandin G/H synthase 2 1
- 10.1016/0960-894X(95)00564-A Prostaglandin G/H synthase 1 1
7966148 10.1021/jm00049a005 Cyclooxygenase 1
7966148 10.1021/jm00049a005 Prostaglandin G/H synthase 1 1
9544212 10.1021/jm970680p Cyclooxygenase 1
9544212 10.1021/jm970680p Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine