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Compound Detail

CHEMBL3351147

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O=C(CBr)N[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL3351147
Phase Preclinical
Structure Type MOL
InChI Key FBDRYZFAXBPZEB-WEAIKQDOSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

300.1
MW (Da)
-2.70
ALogP
6
HBA
5
HBD
119.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H14BrNO6
MW 300.11
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 1.26

Activity Summary

Ki 3 meas. best 4.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen phosphorylase, brain form
CHEMBL3856
Ki 4.36 4.36 44000.0 1
Unchecked
CHEMBL612545
Ki 4.36 4.36 43954.2 2

Activity Data Samples

Top measurements by pChEMBL value

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
10377222 10.1021/jm980515p Unchecked 1
12502357 10.1021/jm011051p Unchecked 1

Data from ChEMBL 36 via Core Engine