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Compound Detail

CHEMBL1808679

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Nc1nc2c(ncn2CCOC(COCc2ccccc2)CP(=O)(O)O)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1808679
Phase Preclinical
Structure Type MOL
InChI Key XZEVMNHPRPKWBF-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

423.4
MW (Da)
0.48
ALogP
8
HBA
4
HBD
165.6
PSA (Ų)
0.34
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22N5O6P
MW 423.37
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.32

Activity Summary

EC50 2 meas. best 4.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human alphaherpesvirus 3
CHEMBL613132
 EC50 4.03 4.03 94000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human alphaherpesvirus 3 EC50 = 94000.0 nM 4.03 Antiviral activity against thymidine kinase-deficient Varicella-zoster virus 07/... 21745746

Literature References

PubMed DOI Target Context # Activities
21745746 10.1016/j.bmc.2011.06.045 Human alphaherpesvirus 3 4
21745746 10.1016/j.bmc.2011.06.045 Human alphaherpesvirus 1 2
21745746 10.1016/j.bmc.2011.06.045 Human betaherpesvirus 5 2
21745746 10.1016/j.bmc.2011.06.045 HEL 2
21745746 10.1016/j.bmc.2011.06.045 Human alphaherpesvirus 2 1
21745746 10.1016/j.bmc.2011.06.045 Vaccinia virus 1
21745746 10.1016/j.bmc.2011.06.045 Vesicular stomatitis virus 1
21745746 10.1016/j.bmc.2011.06.045 Coxsackievirus B4 1
21745746 10.1016/j.bmc.2011.06.045 Respiratory syncytial virus 1
21745746 10.1016/j.bmc.2011.06.045 Human respirovirus 3 1
21745746 10.1016/j.bmc.2011.06.045 Mammalian orthoreovirus 1 1
21745746 10.1016/j.bmc.2011.06.045 Sindbis virus 1
21745746 10.1016/j.bmc.2011.06.045 Punta Toro virus 1

Data from ChEMBL 36 via Core Engine