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Compound Detail

CHEMBL1771084

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CS(=O)(=O)c1ccc(N2CCC(C3CCN(c4cnccn4)CC3)CC2)cc1

Basic Information

ChEMBL ID CHEMBL1771084
Phase Preclinical
Structure Type MOL
InChI Key AZYQJKQMRSQAAQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.6
MW (Da)
3.01
ALogP
6
HBA
0
HBD
66.4
PSA (Ų)
0.79
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 C21H28N4O2S
MW 400.55
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.49

Activity Summary

EC50 2 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucose-dependent insulinotropic receptor
CHEMBL5652
EC50 6.7 6.7 201.0 1
Glucose-dependent insulinotropic receptor
CHEMBL5263
EC50 6.62 6.62 239.0 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