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Compound Detail

CHEMBL418216

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Nc1ccn(CCOCP(=O)(O)O)c(=O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL418216
Phase Preclinical
Structure Type MOL
InChI Key XXUKNWCJFNYLDP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

249.2
MW (Da)
-1.02
ALogP
6
HBA
3
HBD
127.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H12N3O5P
MW 249.16
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.33

Activity Summary

EC50 1 meas. best 4.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 4.2 4.2 63000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 63000.0 nM 4.2 Antiviral activity against Murine cytomegalovirus Smith infected in HFF cells by... 18852272

Literature References

PubMed DOI Target Context # Activities
18852272 10.1128/aac.00918-08 Unchecked 8
18852272 10.1128/aac.00918-08 NON-PROTEIN TARGET 5
10377214 10.1021/jm9811256 Human herpesvirus 3 deoxypyrimidine kinase 4
10377214 10.1021/jm9811256 Human alphaherpesvirus 1 3
18852272 10.1128/aac.00918-08 HFF 2
10377214 10.1021/jm9811256 Unchecked 2
10377214 10.1021/jm9811256 E6SM 2
10377214 10.1021/jm9811256 Cytomegalovirus 2
2544723 10.1021/jm00127a010 Human alphaherpesvirus 2 1
18852272 10.1128/aac.00918-08 Daudi 1
18852272 10.1128/aac.00918-08 MOLT-3 1
18852272 10.1128/aac.00918-08 Human alphaherpesvirus 1 1
18852272 10.1128/aac.00918-08 Human alphaherpesvirus 2 1
18852272 10.1128/aac.00918-08 Human alphaherpesvirus 3 1
18852272 10.1128/aac.00918-08 Human betaherpesvirus 5 1
2544723 10.1021/jm00127a010 Human betaherpesvirus 5 1
2544723 10.1021/jm00127a010 Human alphaherpesvirus 1 1
10377214 10.1021/jm9811256 MT4 1
10377214 10.1021/jm9811256 Vaccinia virus 1
10377214 10.1021/jm9811256 Thymidine kinase 1

Data from ChEMBL 36 via Core Engine