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Compound Detail

CHEMBL5620142

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O=C(O)/C=C/Cc1c(O)ccc2c1OC(c1cccs1)CC2=O

Basic Information

ChEMBL ID CHEMBL5620142
Phase Preclinical
Structure Type MOL
InChI Key SWZFWIAAAQQCDS-ORCRQEGFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
3.34
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14O5S
MW 330.36
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 1.09

Activity Summary

IC50 1 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
IC50 5.66 5.66 2180.0 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