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Compound Detail

CHEMBL3260543

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CCOC(=O)C(Cc1ccccc1)C1=NC=NC2C1N=CN2c1ccc(OC(F)(F)F)cc1

Basic Information

ChEMBL ID CHEMBL3260543
Phase Preclinical
Structure Type MOL
InChI Key RHYIQRLLDJSZDP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

458.4
MW (Da)
4.03
ALogP
7
HBA
0
HBD
75.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21F3N4O3
MW 458.44
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.29

Activity Summary

EC50 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucose-dependent insulinotropic receptor
CHEMBL5652
EC50 5.96 5.96 1100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24751443 10.1016/j.bmcl.2014.03.023 Glucose-dependent insulinotropic receptor 2

Data from ChEMBL 36 via Core Engine