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Compound Detail

CHEMBL3322297

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O=C(O)C1=C(C(=O)O)NC=CC1

Basic Information

ChEMBL ID CHEMBL3322297
Phase Preclinical
Structure Type MOL
InChI Key SYHPGXUWPYJXOO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

169.1
MW (Da)
-0.08
ALogP
3
HBA
3
HBD
86.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H7NO4
MW 169.14
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 0.87

Activity Summary

Ki 1 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen phosphorylase, muscle form
CHEMBL3526
Ki 8.8 8.8 1.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen phosphorylase, muscle form Ki = 1.6 nM 8.8 Inhibition of glycogen phosphorylase b (unknown origin) 25092521

Literature References

PubMed DOI Target Context # Activities
25092521 10.1016/j.bmc.2014.06.058 Glycogen phosphorylase, muscle form 1

Data from ChEMBL 36 via Core Engine