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Compound Detail

CHEMBL5620253

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O=C(O)C/C=C/Cc1c(O)ccc2c1OC(c1csc3ccccc13)CC2=O

Basic Information

ChEMBL ID CHEMBL5620253
Phase Preclinical
Structure Type MOL
InChI Key ODWCZHRKVIGPQU-DUXPYHPUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.4
MW (Da)
4.89
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18O5S
MW 394.45
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 1.13

Activity Summary

IC50 1 meas. best 6.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
IC50 6.19 6.19 650.0 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