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Compound Detail

CHEMBL5409202

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Cc1ccc2c(c1)[I+]c1cc(OC(F)(F)F)ccc1-2

Basic Information

ChEMBL ID CHEMBL5409202
Phase Preclinical
Structure Type MOL
InChI Key VGSJKMSEHNLBLG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.1
MW (Da)
1.00
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H9F3IO+
MW 377.12
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.65

Activity Summary

EC50 1 meas. best 6.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 3
CHEMBL4523856
EC50 6.34 6.34 455.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37541631 10.1016/j.bmcl.2023.129427 G-protein coupled receptor 3 2

Data from ChEMBL 36 via Core Engine