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Compound Detail

CHEMBL1095545

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O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)C(O)[C@H](F)C2O)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1095545
Phase Preclinical
Structure Type MOL
InChI Key BXHWKGLMPCAUQA-JCMBNQPGSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

294.2
MW (Da)
-2.37
ALogP
7
HBA
4
HBD
124.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H12F2N2O6
MW 294.21
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.60

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
20430629 10.1016/j.bmc.2010.04.004 Glycogen phosphorylase, muscle form 1
20430629 10.1016/j.bmc.2010.04.004 No relevant target 1

Data from ChEMBL 36 via Core Engine