Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1773283

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(C)(C)OC(=O)N1CCC(Sc2ncnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2F)CC1

Basic Information

ChEMBL ID CHEMBL1773283
Phase Preclinical
Structure Type MOL
InChI Key KRCCTTRJUJRZKA-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

507.6
MW (Da)
3.85
ALogP
9
HBA
0
HBD
107.3
PSA (Ų)
0.49
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26FN5O4S2
MW 507.61
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -2.06

Activity Summary

EC50 2 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucose-dependent insulinotropic receptor
CHEMBL5652
EC50 9.3 9.3 0.5 1
Glucose-dependent insulinotropic receptor
CHEMBL5262
EC50 8.14 8.14 7.3 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