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Compound Detail

CHEMBL2030483

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Cc1cc(F)c(Sc2nccn2C)cc1C(=O)Nc1cccc(N)c1

Basic Information

ChEMBL ID CHEMBL2030483
Phase Preclinical
Structure Type MOL
InChI Key FGZLRAIOKZQEDP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
3.85
ALogP
5
HBA
2
HBD
72.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17FN4OS
MW 356.43
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -2.07

Activity Summary

IC50 1 meas. best 5.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen phosphorylase, muscle form
CHEMBL4696
IC50 5.57 5.57 2700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen phosphorylase, muscle form IC50 = 2700.0 nM 5.57 Binding affinity to rabbit muscular GPa by NMR binding assay 22229710

Literature References

PubMed DOI Target Context # Activities
22229710 10.1021/jm201439b Glycogen phosphorylase, muscle form 1

Data from ChEMBL 36 via Core Engine