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Compound Detail

CHEMBL1771092

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CS(=O)(=O)c1ccc(N2CCC(C3CCN(c4ccc(C(F)(F)F)cn4)CC3)CC2)cc1

Basic Information

ChEMBL ID CHEMBL1771092
Phase Preclinical
Structure Type MOL
InChI Key UUMPPUAHNVJXCJ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

467.6
MW (Da)
4.64
ALogP
5
HBA
0
HBD
53.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28F3N3O2S
MW 467.56
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.66

Activity Summary

EC50 2 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucose-dependent insulinotropic receptor
CHEMBL5263
EC50 8.1 8.1 8.0 1
Glucose-dependent insulinotropic receptor
CHEMBL5652
EC50 7.89 7.89 13.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21273063 10.1016/j.bmcl.2010.12.086 Glucose-dependent insulinotropic receptor 2

Data from ChEMBL 36 via Core Engine