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Compound Detail

CHEMBL210828

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COc1nc(=O)n(COC(CO)CO)cc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL210828
Phase Preclinical
Structure Type MOL
InChI Key IANBAEKYLOFYRT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

309.1
MW (Da)
-0.66
ALogP
7
HBA
2
HBD
93.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H13BrN2O5
MW 309.12
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.20

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