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Compound Detail

CHEMBL1775175

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CS(=O)(=O)c1ccc(-n2ncc3c(OC4CCN(C(=O)OC5CCOC5)CC4)ncnc32)cc1

Basic Information

ChEMBL ID CHEMBL1775175
Phase Preclinical
Structure Type MOL
InChI Key AOGFVKCXWUDFAJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

487.5
MW (Da)
1.99
ALogP
10
HBA
0
HBD
125.7
PSA (Ų)
0.53
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 C22H25N5O6S
MW 487.54
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.32

Activity Summary

EC50 1 meas. best 6.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucose-dependent insulinotropic receptor
CHEMBL5652
EC50 6.36 6.36 435.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucose-dependent insulinotropic receptor EC50 = 435.0 nM 6.36 Agonist activity at human GPR119 by melanophore assay 21444206

Literature References

PubMed DOI Target Context # Activities
21444206 10.1016/j.bmcl.2011.03.007 Glucose-dependent insulinotropic receptor 4

Data from ChEMBL 36 via Core Engine