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Compound Detail

CHEMBL3351148

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O=C1N[C@@]2(O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(=O)N1O

Basic Information

ChEMBL ID CHEMBL3351148
Phase Preclinical
Structure Type MOL
InChI Key IHDZZZHACPJCFJ-AZDHXYLBSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

264.2
MW (Da)
-3.90
ALogP
8
HBA
6
HBD
159.8
PSA (Ų)
0.21
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H12N2O8
MW 264.19
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 1.69

Activity Summary

Ki 2 meas. best 4.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen phosphorylase, brain form
CHEMBL3856
Ki 4.4 4.4 39810.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen phosphorylase, brain form Ki = 39810.72 nM 4.4 Inhibitory activity against Pig Skeletal Glycogen Phosphorylase b 12213058

Literature References

PubMed DOI Target Context # Activities
9406599 10.1021/jm970273d Glycogen phosphorylase, muscle form 1
9154968 10.1021/jm9608016 Glycogen phosphorylase, brain form 1
12213058 10.1021/jm020808p Glycogen phosphorylase, brain form 1

Data from ChEMBL 36 via Core Engine