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Compound Detail

CHEMBL4302437

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Clc1ccc2c(c1)[I+]c1ccccc1-2

Basic Information

ChEMBL ID CHEMBL4302437
Phase Preclinical
Structure Type MOL
InChI Key AKXOLSKFZCRGEX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

313.6
MW (Da)
0.45
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H7ClI+
MW 313.55
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.54

Activity Summary

EC50 1 meas. best 6.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 3
CHEMBL4523856
EC50 6.04 6.04 921.0 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