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Compound Detail

CHEMBL1814558

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Nc1ncnc2c1ncn2CCOCP(=O)(OCCCCCCCCCCO)OCCCCCCCCCCO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1814558
Phase Preclinical
Structure Type MOL
InChI Key HNZYHHSKSLPRKM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

585.7
MW (Da)
5.84
ALogP
11
HBA
3
HBD
154.8
PSA (Ų)
0.09
QED
3
Ro5 Violations
27
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H52N5O6P
MW 585.73
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness -0.16

Activity Summary

EC50 1 meas. best 4.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
 EC50 4.0 4.0 99000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Respiratory syncytial virus EC50 = 99000.0 nM 4.0 Antiviral activity against RSV infected in HeLa cells assessed as protection aga... 21565516

Literature References

PubMed DOI Target Context # Activities
21565516 10.1016/j.bmc.2011.04.016 Human alphaherpesvirus 1 2
21565516 10.1016/j.bmc.2011.04.016 Human alphaherpesvirus 3 2
21565516 10.1016/j.bmc.2011.04.016 Human betaherpesvirus 5 2
21565516 10.1016/j.bmc.2011.04.016 Influenza A virus 2
21565516 10.1016/j.bmc.2011.04.016 HEL 2
21565516 10.1016/j.bmc.2011.04.016 Vesicular stomatitis virus 2
21565516 10.1016/j.bmc.2011.04.016 Coxsackievirus B4 2
21565516 10.1016/j.bmc.2011.04.016 CCRF-CEM 1
21565516 10.1016/j.bmc.2011.04.016 Influenza B virus 1
21565516 10.1016/j.bmc.2011.04.016 Feline coronavirus 1
21565516 10.1016/j.bmc.2011.04.016 Punta Toro virus 1
21565516 10.1016/j.bmc.2011.04.016 Sindbis virus 1
21565516 10.1016/j.bmc.2011.04.016 Mammalian orthoreovirus 1 1
21565516 10.1016/j.bmc.2011.04.016 Human respirovirus 3 1
21565516 10.1016/j.bmc.2011.04.016 Respiratory syncytial virus 1
21565516 10.1016/j.bmc.2011.04.016 Human immunodeficiency virus 2 1
21565516 10.1016/j.bmc.2011.04.016 Human immunodeficiency virus 1 1
21565516 10.1016/j.bmc.2011.04.016 ADMET 1
21565516 10.1016/j.bmc.2011.04.016 Vaccinia virus 1
21565516 10.1016/j.bmc.2011.04.016 Felid alphaherpesvirus 1 1

Data from ChEMBL 36 via Core Engine