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Compound Detail

CHEMBL35047

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Cc1cn(COC(CO)CO)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL35047
Phase Preclinical
Structure Type MOL
InChI Key BQFRWTWERQFADT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

230.2
MW (Da)
-1.83
ALogP
6
HBA
3
HBD
104.5
PSA (Ų)
0.55
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 C9H14N2O5
MW 230.22
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.16

Literature References

PubMed DOI Target Context # Activities
16759112 10.1021/jm060102l Hepatitis B virus 4
16759112 10.1021/jm060102l Duck hepatitis B virus 2
2826784 10.1021/jm00396a021 Human alphaherpesvirus 3 1
2826784 10.1021/jm00396a021 Cytomegalovirus 1
2826784 10.1021/jm00396a021 Human gammaherpesvirus 4 1
3871860 10.1021/jm00381a015 Vero 1
16759112 10.1021/jm060102l HepG2 1
16759112 10.1021/jm060102l Vero 1
18272369 10.1016/j.bmc.2008.01.038 Thymidine phosphorylase 1

Data from ChEMBL 36 via Core Engine