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Compound Detail

CHEMBL3260539

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CC(Cc1ccccc1)(c1ccnc2c(-c3ccc(C(F)(F)F)cc3)cnn12)S(C)(=O)=O

Basic Information

ChEMBL ID CHEMBL3260539
Phase Preclinical
Structure Type MOL
InChI Key ILEQZAIZTBXKOM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

459.5
MW (Da)
4.92
ALogP
5
HBA
0
HBD
64.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20F3N3O2S
MW 459.49
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.09

Activity Summary

EC50 1 meas. best 6.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucose-dependent insulinotropic receptor
CHEMBL5652
EC50 6.61 6.61 243.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24751443 10.1016/j.bmcl.2014.03.023 Glucose-dependent insulinotropic receptor 2

Data from ChEMBL 36 via Core Engine