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Compound Detail

CHEMBL3143037

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C=CCCCCCCc1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3143037
Phase Preclinical
Structure Type MOL
InChI Key QUYPASNUHBVTMO-GVDBMIGSSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
2.31
ALogP
7
HBA
2
HBD
97.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26N2O5
MW 362.43
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 1.14

Activity Summary

EC50 2 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human alphaherpesvirus 3
CHEMBL613132
 EC50 7.22 6.895 60.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human alphaherpesvirus 3 EC50 = 60.0 nM 7.22 Effective concentration required for reduction of plaque formation of Varicella-... 11212118
Human alphaherpesvirus 3 EC50 = 270.0 nM 6.57 Effective concentration required for reduction of plaque formation of Varicella-... 11212118

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