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Compound Detail

CHEMBL4099733

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O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@]2(F)Cl)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4099733
Phase Preclinical
Structure Type MOL
InChI Key JOBHDZRPORQAPN-FJGDRVTGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

280.6
MW (Da)
-1.31
ALogP
6
HBA
3
HBD
104.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H10ClFN2O5
MW 280.64
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.91

Literature References

PubMed DOI Target Context # Activities
28595015 10.1021/acs.jmedchem.7b00067 HepG2 10
28595015 10.1021/acs.jmedchem.7b00067 Hepatitis C virus 8
28595015 10.1021/acs.jmedchem.7b00067 Huh-7 1
28595015 10.1021/acs.jmedchem.7b00067 PBMC 1
28595015 10.1021/acs.jmedchem.7b00067 CCRF-CEM 1
28595015 10.1021/acs.jmedchem.7b00067 Vero 1

Data from ChEMBL 36 via Core Engine