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Compound Detail

CHEMBL210664

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O=c1[nH]c(=O)n(COC(CO)CO)cc1CCO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL210664
Phase Preclinical
Structure Type MOL
InChI Key CSBKDYXBPBNAEG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

260.2
MW (Da)
-2.60
ALogP
7
HBA
4
HBD
124.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H16N2O6
MW 260.25
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.23

Literature References

PubMed DOI Target Context # Activities
16759112 10.1021/jm060102l Hepatitis B virus 4
16759112 10.1021/jm060102l Duck hepatitis B virus 2
16759112 10.1021/jm060102l HepG2 1
16759112 10.1021/jm060102l Vero 1

Data from ChEMBL 36 via Core Engine