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Compound Detail

CHEMBL4856239

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CC(C)(C)OC(=O)N1CCC(Nc2cc(N3CCc4cc(S(C)(=O)=O)ccc43)ncn2)CC1

Basic Information

ChEMBL ID CHEMBL4856239
Phase Preclinical
Structure Type MOL
InChI Key QVKLNBIURDBXIF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

473.6
MW (Da)
3.39
ALogP
8
HBA
1
HBD
104.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H31N5O4S
MW 473.60
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.71

Activity Summary

EC50 1 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucose-dependent insulinotropic receptor
CHEMBL5652
EC50 6.52 6.52 300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34010766 10.1016/j.bmc.2021.116208 Glucose-dependent insulinotropic receptor 1
34010766 10.1016/j.bmc.2021.116208 Voltage-gated inwardly rectifying potassium channel KCNH2 1
34010766 10.1016/j.bmc.2021.116208 No relevant target 1

Data from ChEMBL 36 via Core Engine