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Compound Detail

CHEMBL5893254

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Cc1cc(S(=O)(=O)Nc2ccncn2)ccc1O[C@H]1CCCC[C@@H]1c1ccnn1C

Basic Information

ChEMBL ID CHEMBL5893254
Phase Preclinical
Structure Type MOL
InChI Key QNWZCRPPMCVCRW-XLIONFOSSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

427.5
MW (Da)
3.42
ALogP
7
HBA
1
HBD
99.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N5O3S
MW 427.53
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.28

Activity Summary

IC50 3 meas. best 7.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.41 7.41 39.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine