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Compound Detail

CHEMBL62984

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Cc1nc(N)nc2c1ncn2CCOCP(=O)(O)O

Basic Information

ChEMBL ID CHEMBL62984
Phase Preclinical
Structure Type MOL
InChI Key XPRSKMIWFANOKA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

287.2
MW (Da)
-0.13
ALogP
7
HBA
3
HBD
136.4
PSA (Ų)
0.51
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 C9H14N5O4P
MW 287.22
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.78

Literature References

PubMed DOI Target Context # Activities
10377214 10.1021/jm9811256 Human herpesvirus 3 deoxypyrimidine kinase 4
17893157 10.1128/aac.00838-07 ADMET 4
17893157 10.1128/aac.00838-07 Unchecked 4
17893157 10.1128/aac.00838-07 Camelpox virus 4
10377214 10.1021/jm9811256 Thymidine kinase 2
10377214 10.1021/jm9811256 Cytomegalovirus 2
10377214 10.1021/jm9811256 Human alphaherpesvirus 1 1
10377214 10.1021/jm9811256 Human alphaherpesvirus 2 1
10377214 10.1021/jm9811256 Vaccinia virus 1
10377214 10.1021/jm9811256 Unchecked 1
10377214 10.1021/jm9811256 Human immunodeficiency virus 1 1
10377214 10.1021/jm9811256 Human immunodeficiency virus 2 1

Data from ChEMBL 36 via Core Engine