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Compound Detail

CHEMBL87698

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O=c1[nH]c(=O)n([C@@H]2CO[C@H](CO)O2)cc1Br

Basic Information

ChEMBL ID CHEMBL87698
Phase Preclinical
Structure Type MOL
InChI Key PLHVEYZUKLKVIO-WDSKDSINSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

293.1
MW (Da)
-0.84
ALogP
6
HBA
2
HBD
93.5
PSA (Ų)
0.74
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 C8H9BrN2O5
MW 293.07
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.36

Activity Summary

EC50 1 meas. best 6.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human gammaherpesvirus 4
CHEMBL613124
EC50 6.72 6.72 190.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10891113 10.1021/jm990543n CCRF-CEM 2
10891113 10.1021/jm990543n Human alphaherpesvirus 3 1
10891113 10.1021/jm990543n Human gammaherpesvirus 4 1

Data from ChEMBL 36 via Core Engine