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Compound Detail

CHEMBL5765233

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CSc1nc(O)c(C(=O)Nc2ncc(-c3c[nH]nn3)cc2C(F)(F)F)c(=O)[nH]1

Basic Information

ChEMBL ID CHEMBL5765233
Phase Preclinical
Structure Type MOL
InChI Key WOPZJLRZFASLOU-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

413.3
MW (Da)
1.65
ALogP
8
HBA
4
HBD
149.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10F3N7O3S
MW 413.34
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.69

Activity Summary

IC50 2 meas. best 10.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Xanthine dehydrogenase/oxidase
CHEMBL1929
IC50 10.22 10.22 0.1 1
Solute carrier family 22 member 12
CHEMBL6120
IC50 4.7 4.7 19900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine