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Compound Detail

CHEMBL1808676

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CCC(CP(=O)(O)O)OCCn1cnc2c(N)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1808676
Phase Preclinical
Structure Type MOL
InChI Key WCQVFDLLFVDKQO-UHFFFAOYSA-N
1
Targets
9
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names

Molecular Properties

315.3
MW (Da)
0.38
ALogP
7
HBA
3
HBD
136.4
PSA (Ų)
0.62
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 C11H18N5O4P
MW 315.27
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.29

Activity Summary

EC50 9 meas. best 4.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human alphaherpesvirus 3
CHEMBL613132
 EC50 4.72 4.5325 19000.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human alphaherpesvirus 3 EC50 = 19000.0 nM 4.72 Antiviral activity against Varicella-zoster virus strain OKA expressing thymidin... 21745746
Human alphaherpesvirus 3 EC50 = 22000.0 nM 4.66 Antiviral activity against thymidine kinase-deficient Varicella-zoster virus 07/... 21745746
Human alphaherpesvirus 3 EC50 = 42000.0 nM 4.38 Antiviral activity against Varicella-zoster virus YS expressing thymidine kinase... 21745746
Human alphaherpesvirus 3 EC50 = 43000.0 nM 4.37 Antiviral activity against thymidine kinase-deficient Varicella-zoster virus YS/... 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 L1210 1
21745746 10.1016/j.bmc.2011.06.045 FM3A 1
21745746 10.1016/j.bmc.2011.06.045 CCRF-CEM 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