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Compound Detail

CHEMBL5850211

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Cc1cc(S(=O)(=O)Nc2ccncn2)c(F)cc1O[C@H]1CCCC[C@@H]1c1cn[nH]c1

Basic Information

ChEMBL ID CHEMBL5850211
Phase Preclinical
Structure Type MOL
InChI Key YIWSWNZHDGQZSY-WBVHZDCISA-N
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
3.55
ALogP
6
HBA
2
HBD
109.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22FN5O3S
MW 431.49
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.33

Activity Summary

IC50 5 meas. best 7.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.47 7.21 34.0 5

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine