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Compound Detail

CHEMBL2063191

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CCCCCCCCCCCCCCCCOCCCOP(=O)(O)CO[C@H](CO)Cn1cnc2c(=O)[nH]cnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2063191
Phase Preclinical
Structure Type MOL
InChI Key LSNJYJGKVZJZOA-VWLOTQADSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names

Molecular Properties

586.7
MW (Da)
5.54
ALogP
9
HBA
3
HBD
148.8
PSA (Ų)
0.10
QED
2
Ro5 Violations
26
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H51N4O7P
MW 586.71
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness 0.05

Activity Summary

EC50 1 meas. best 4.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human betaherpesvirus 5
CHEMBL371
 EC50 4.82 4.82 15200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human betaherpesvirus 5 EC50 = 15200.0 nM 4.82 Antiviral activity against HCMV Davis infected in HEL cells by viral CPE assay 22858222

Literature References

PubMed DOI Target Context # Activities
22858222 10.1016/j.ejmech.2012.07.027 Human alphaherpesvirus 3 3
22858222 10.1016/j.ejmech.2012.07.027 Human alphaherpesvirus 1 2
22858222 10.1016/j.ejmech.2012.07.027 Human betaherpesvirus 5 2
22858222 10.1016/j.ejmech.2012.07.027 HEL 2
22858222 10.1016/j.ejmech.2012.07.027 Human alphaherpesvirus 2 1
22858222 10.1016/j.ejmech.2012.07.027 Felid alphaherpesvirus 1 1
22858222 10.1016/j.ejmech.2012.07.027 Vaccinia virus 1
22858222 10.1016/j.ejmech.2012.07.027 Human immunodeficiency virus 1 1
22858222 10.1016/j.ejmech.2012.07.027 Human immunodeficiency virus 2 1
22858222 10.1016/j.ejmech.2012.07.027 Vesicular stomatitis virus 1
22858222 10.1016/j.ejmech.2012.07.027 Coxsackievirus B4 1
22858222 10.1016/j.ejmech.2012.07.027 Respiratory syncytial virus 1
22858222 10.1016/j.ejmech.2012.07.027 Human respirovirus 3 1
22858222 10.1016/j.ejmech.2012.07.027 Mammalian orthoreovirus 1 1
22858222 10.1016/j.ejmech.2012.07.027 Sindbis virus 1
22858222 10.1016/j.ejmech.2012.07.027 Punta Toro virus 1

Data from ChEMBL 36 via Core Engine