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Compound Detail

CHEMBL3351135

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O=C(CS[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3351135
Phase Preclinical
Structure Type MOL
InChI Key JTMBSMVFQCBNSW-RGCYKPLRSA-N
0
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
-0.84
ALogP
7
HBA
5
HBD
119.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H19NO6S
MW 329.37
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.10

Activity Summary

Ki 5 meas.

Literature References

PubMed DOI Target Context # Activities
9406599 10.1021/jm970273d Glycogen phosphorylase, muscle form 1
15163189 10.1021/jm030586a Glycogen phosphorylase, brain 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
- 10.1007/s00044-013-0812-0 Unchecked 1

Data from ChEMBL 36 via Core Engine