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Compound Detail

CHEMBL1771090

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Cc1ccc(N2CCC(C3CCN(c4ccc(S(C)(=O)=O)cc4)CC3)CC2)nc1

Basic Information

ChEMBL ID CHEMBL1771090
Phase Preclinical
Structure Type MOL
InChI Key RWXDSWAVXKMDMF-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.6
MW (Da)
3.93
ALogP
5
HBA
0
HBD
53.5
PSA (Ų)
0.76
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 C23H31N3O2S
MW 413.59
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.54

Activity Summary

EC50 2 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucose-dependent insulinotropic receptor
CHEMBL5652
EC50 7.75 7.75 18.0 1
Glucose-dependent insulinotropic receptor
CHEMBL5263
EC50 7.14 7.14 73.0 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