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Compound Detail

CHEMBL333559

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O=c1[nH]c(=O)n(COC(CO)CO)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL333559
Phase Preclinical
Structure Type MOL
InChI Key KPMLGIYWYCZVPK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

234.2
MW (Da)
-2.00
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 C8H11FN2O5
MW 234.18
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.09

Literature References

PubMed DOI Target Context # Activities
16759112 10.1021/jm060102l Hepatitis B virus 4
16759112 10.1021/jm060102l Duck hepatitis B virus 2
3871860 10.1021/jm00381a015 Vero 1
16759112 10.1021/jm060102l HepG2 1
16759112 10.1021/jm060102l Vero 1

Data from ChEMBL 36 via Core Engine