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Compound Detail

CHEMBL4101127

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Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@]1(F)Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4101127
Phase Preclinical
Structure Type MOL
InChI Key PJPXBLFQPDOAHW-GIWSHQQXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

303.7
MW (Da)
-0.44
ALogP
8
HBA
3
HBD
119.3
PSA (Ų)
0.64
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 C10H11ClFN5O3
MW 303.68
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.83

Literature References

PubMed DOI Target Context # Activities
28595015 10.1021/acs.jmedchem.7b00067 Hepatitis C virus 2
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