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Compound Detail

CHEMBL5868375

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N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2cc(Cl)sc2c1

Basic Information

ChEMBL ID CHEMBL5868375
Phase Preclinical
Structure Type MOL
InChI Key GOEJYGRJWFPSNL-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

329.8
MW (Da)
4.50
ALogP
4
HBA
2
HBD
81.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H8ClNO3S
MW 329.76
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.72

Activity Summary

IC50 2 meas. best 7.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
IC50 7.04 7.04 91.0 1
Xanthine dehydrogenase/oxidase
CHEMBL1929
IC50 6.99 6.99 102.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine