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Compound Detail

CHEMBL5913892

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O=C(O)CSc1nc2nc(-c3ccc(N4CC[C@H](O)C4)cc3)c(Cl)cc2[nH]1

Basic Information

ChEMBL ID CHEMBL5913892
Phase Preclinical
Structure Type MOL
InChI Key QMIKQMBLWSEYOB-LBPRGKRZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

404.9
MW (Da)
3.03
ALogP
6
HBA
3
HBD
102.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17ClN4O3S
MW 404.88
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.43

Activity Summary

EC50 1 meas. best 7.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1
CHEMBL2111345
EC50 7.37 7.37 43.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine