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Compound Detail

CHEMBL319465

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O=C(CBr)N[C@@H]1OC(CO)C(O)C(O)C1O

Basic Information

ChEMBL ID CHEMBL319465
Phase Preclinical
Structure Type MOL
InChI Key FBDRYZFAXBPZEB-CWWBUFHZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
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 1 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

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen phosphorylase, brain form Ki = 44000.0 nM 4.36 Inhibitory binding constant against glycogen phosphorylase B 15163189

Literature References

PubMed DOI Target Context # Activities
15163189 10.1021/jm030586a Glycogen phosphorylase, brain form 1

Data from ChEMBL 36 via Core Engine