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Compound Detail

CHEMBL3143036

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C=CCCCCc1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1

Basic Information

ChEMBL ID CHEMBL3143036
Phase Preclinical
Structure Type MOL
InChI Key VAWRVWRQYMVPEH-RRFJBIMHSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
1.53
ALogP
7
HBA
2
HBD
97.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22N2O5
MW 334.37
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 1.20

Activity Summary

EC50 2 meas. best 4.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human alphaherpesvirus 3
CHEMBL613132
EC50 4.89 4.87 13000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11212118 10.1016/s0960-894x(00)00672-7 Human alphaherpesvirus 3 4
11212118 10.1016/s0960-894x(00)00672-7 HEL 2
11212118 10.1016/s0960-894x(00)00672-7 No relevant target 1

Data from ChEMBL 36 via Core Engine