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Compound Detail

CHEMBL4778466

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COC(=O)N1CCC(Oc2cc(Oc3cccc(/C=C4\SC(=O)NC4=O)c3)ncn2)CC1

Basic Information

ChEMBL ID CHEMBL4778466
Phase Preclinical
Structure Type MOL
InChI Key BUAKASPKWFXJAY-YBEGLDIGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

456.5
MW (Da)
3.20
ALogP
9
HBA
1
HBD
120.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N4O6S
MW 456.48
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.29

Activity Summary

EC50 1 meas. best 5.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucose-dependent insulinotropic receptor
CHEMBL5652
EC50 5.73 5.73 1870.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33611013 10.1016/j.bmc.2021.116071 Glucose-dependent insulinotropic receptor 2

Data from ChEMBL 36 via Core Engine