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Compound Detail

CHEMBL1773282

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CC(C)(C)OC(=O)N1CCC(Sc2ncnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2)CC1

Basic Information

ChEMBL ID CHEMBL1773282
Phase Preclinical
Structure Type MOL
InChI Key TVVRUELYQUKMOC-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

489.6
MW (Da)
3.71
ALogP
9
HBA
0
HBD
107.3
PSA (Ų)
0.51
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 C22H27N5O4S2
MW 489.62
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.90

Activity Summary

EC50 2 meas. best 8.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucose-dependent insulinotropic receptor
CHEMBL5652
EC50 8.25 8.25 5.6 1
Glucose-dependent insulinotropic receptor
CHEMBL5262
EC50 7.81 7.81 15.5 1

Activity Data Samples

Top measurements by pChEMBL value

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