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Compound Detail

CHEMBL3351153

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NN1C(=O)N[C@@]2(O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C1=O

Basic Information

ChEMBL ID CHEMBL3351153
Phase Preclinical
Structure Type MOL
InChI Key KLJXQBRQPPSXPZ-AZDHXYLBSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

263.2
MW (Da)
-4.42
ALogP
8
HBA
6
HBD
165.6
PSA (Ų)
0.16
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 C8H13N3O7
MW 263.21
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 1.54

Activity Summary

Ki 4 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen phosphorylase, brain form
CHEMBL3856
Ki 6.8 6.8 158.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen phosphorylase, brain form Ki = 158.49 nM 6.8 Inhibitory activity against Pig Skeletal Glycogen Phosphorylase b 12213058

Literature References

PubMed DOI Target Context # Activities
10966742 10.1021/jm000941m Unchecked 2
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
9435905 10.1021/jm970488n Unchecked 1
12502357 10.1021/jm011051p Unchecked 1

Data from ChEMBL 36 via Core Engine