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Compound Detail

CHEMBL5619047

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C/C(=C\Cc1cccc2c1OC(c1cc(Br)cs1)CC2=O)C(=O)O

Basic Information

ChEMBL ID CHEMBL5619047
Phase Preclinical
Structure Type MOL
InChI Key IMZVBLUGLMQAPB-BJMVGYQFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

407.3
MW (Da)
4.79
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15BrO4S
MW 407.29
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.85

Activity Summary

IC50 1 meas. best 6.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
IC50 6.01 6.01 980.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
39142150 10.1016/j.ejmech.2024.116753 Solute carrier family 22 member 12 1

Data from ChEMBL 36 via Core Engine