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Compound Detail

CHEMBL5817226

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NS(=O)(=O)c1ccc(Cc2cn(-c3nc(C(=O)O)cs3)c3c(F)cccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5817226
Phase Preclinical
Structure Type MOL
InChI Key IUKGBDLOTYKMMC-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
3.16
ALogP
6
HBA
2
HBD
115.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14FN3O4S2
MW 431.47
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.30

Activity Summary

IC50 2 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.26 6.26 550.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 550.0 nM 6.26 Biochemical Assay: Test compounds were placed in a Greiner Bio-One (Monroe, N.C.... -
Unchecked IC50 = 550.0 nM 6.26 Biochemical Assay: Test compounds were placed in a Greiner Bio-One (Monroe, N.C.... -

Data from ChEMBL 36 via Core Engine