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Compound Detail

CHEMBL3337578

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C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1c1c(F)cc2c(N)ncnn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3337578
Phase Preclinical
Structure Type MOL
InChI Key NQTWYSXDLMFKMO-ZIYJGFGOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
-1.01
ALogP
8
HBA
4
HBD
126.1
PSA (Ų)
0.56
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 C12H15FN4O4
MW 298.27
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.52

Literature References

PubMed DOI Target Context # Activities
25288185 10.1016/j.bmcl.2014.09.030 Hepatitis C virus 1
25288185 10.1016/j.bmcl.2014.09.030 ADMET 1

Data from ChEMBL 36 via Core Engine