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Compound Detail

CHEMBL308759

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Nc1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3F)c2n1

Basic Information

ChEMBL ID CHEMBL308759
Phase Preclinical
Structure Type MOL
InChI Key UXUZARPLRQRNNX-DXTOWSMRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names

Molecular Properties

285.2
MW (Da)
-1.30
ALogP
9
HBA
4
HBD
139.5
PSA (Ų)
0.53
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 C10H12FN5O4
MW 285.24
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.53

Activity Summary

IC50 1 meas. best 5.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.18 5.18 6600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 6600.0 nM 5.18 Inhibition of RSV A2 RNA-dependent RNA polymerase expressed in human Hep2 cells ... 25978965

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4513161 Pseudomonas aeruginosa 2
- 10.6019/CHEMBL4513161 Cryptococcus neoformans 1
- 10.6019/CHEMBL4513161 HEK293 1
- 10.6019/CHEMBL4513161 Erythrocyte 1
- 10.6019/CHEMBL4513161 Staphylococcus aureus 1
- 10.6019/CHEMBL4513161 Acinetobacter baumannii 1
- 10.6019/CHEMBL4513161 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4513161 Escherichia coli 1
15084127 10.1021/jm030424e Hepatitis C virus 1
- 10.6019/CHEMBL4513161 Candida albicans 1
25978965 10.1016/j.bmcl.2015.04.073 MT4 1
25978965 10.1016/j.bmcl.2015.04.073 DNA polymerase subunit gamma-1/gamma-2 1
25978965 10.1016/j.bmcl.2015.04.073 DNA-directed RNA polymerase, mitochondrial 1
25978965 10.1016/j.bmcl.2015.04.073 NON-PROTEIN TARGET 1
25978965 10.1016/j.bmcl.2015.04.073 Unchecked 1
15084127 10.1021/jm030424e RNA-directed RNA polymerase 1

Data from ChEMBL 36 via Core Engine