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Compound Detail

CHEMBL6032717

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Cc1cc(S(=O)(=O)Nc2ccncn2)c(F)cc1O[C@H]1CCC[C@@H]1c1ccn[nH]1

Basic Information

ChEMBL ID CHEMBL6032717
Phase Preclinical
Structure Type MOL
InChI Key JQLOQWZSIZZXQM-CJNGLKHVSA-N
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
3.16
ALogP
6
HBA
2
HBD
109.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20FN5O3S
MW 417.47
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.46

Activity Summary

IC50 6 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.75 7.685 18.0 6

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine