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Compound Detail

CHEMBL5991168

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CP(=O)(O)CSc1nc2nc(-c3ccc(-c4ccccc4O)cc3)c(Cl)cc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5991168
Phase Preclinical
Structure Type MOL
InChI Key SZQKZNUAIJQZRX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

445.9
MW (Da)
5.60
ALogP
5
HBA
3
HBD
99.1
PSA (Ų)
0.27
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17ClN3O3PS
MW 445.87
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.62

Activity Summary

EC50 1 meas. best 9.01

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 9.01 9.01 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 EC50 = 0.97 nM 9.01 In Vitro pAMPK1 Kinase Activation Assay: Compound effect on AMPK enzyme activati... -

Data from ChEMBL 36 via Core Engine