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Compound Detail

CHEMBL5802087

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CN1CCC(Oc2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)nc3[nH]ncc23)CC1

Basic Information

ChEMBL ID CHEMBL5802087
Phase Preclinical
Structure Type MOL
InChI Key BMTHVZMGMOJKRU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

517.0
MW (Da)
4.09
ALogP
7
HBA
2
HBD
113.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22ClFN6O3S
MW 516.99
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -2.00

Activity Summary

IC50 1 meas. best 9.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase Sgk1
CHEMBL2343
IC50 9.23 9.23 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine