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Compound Detail

CHEMBL36394

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Nc1cn(COC(CO)CO)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL36394
Phase Preclinical
Structure Type MOL
InChI Key MMNQHJGBYVHDLP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

231.2
MW (Da)
-2.55
ALogP
7
HBA
4
HBD
130.6
PSA (Ų)
0.44
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 C8H13N3O5
MW 231.21
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.28

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
16759112 10.1021/jm060102l HepG2 1
16759112 10.1021/jm060102l Vero 1
18640746 10.1016/j.ejmech.2008.06.002 HeLa 1
18640746 10.1016/j.ejmech.2008.06.002 MIA PaCa-2 1
18640746 10.1016/j.ejmech.2008.06.002 SW-620 1
18640746 10.1016/j.ejmech.2008.06.002 MCF7 1
18640746 10.1016/j.ejmech.2008.06.002 NCI-H460 1

Data from ChEMBL 36 via Core Engine