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Compound Detail

CHEMBL210951

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Cc1cc(=O)[nH]c(=O)n1COC(CO)CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL210951
Phase Preclinical
Structure Type MOL
InChI Key CSWFOWFOIGXGMQ-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 -0.20

Literature References

PubMed DOI Target Context # Activities
16759112 10.1021/jm060102l Hepatitis B virus 3
16759112 10.1021/jm060102l Duck hepatitis B virus 2
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