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Compound Detail

CHEMBL1683805

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CC1=NN(S(=O)(=O)c2ccc(C)cc2)C(O)(C(F)(F)F)C1

Basic Information

ChEMBL ID CHEMBL1683805
Phase Preclinical
Structure Type MOL
InChI Key ZJRQKCXAEUXDPY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

322.3
MW (Da)
2.02
ALogP
4
HBA
1
HBD
70.0
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H13F3N2O3S
MW 322.31
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.10

Activity Summary

EC50 1 meas. best 8.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
C3H 10T1/2
CHEMBL614531
EC50 8.17 8.17 6.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
C3H 10T1/2 EC50 = 6.8 nM 8.17 Induction of lipolysis in mouse C3H10T1/2 assessed as glycerol concentration 21330134

Literature References

PubMed DOI Target Context # Activities
21330134 10.1016/j.bmcl.2011.01.120 C3H 10T1/2 2
21330134 10.1016/j.bmcl.2011.01.120 Adipocyte 1

Data from ChEMBL 36 via Core Engine