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Compound Detail

CHEMBL2374436

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C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(C(=O)O)c2c(N)ncnc21

Basic Information

ChEMBL ID CHEMBL2374436
Phase Preclinical
Structure Type MOL
InChI Key KFTHWKFWOTUZDL-CZTVAOSCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

324.3
MW (Da)
-1.29
ALogP
9
HBA
5
HBD
163.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16N4O6
MW 324.29
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 1.11

Activity Summary

EC50 1 meas. best 4.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nucleic Acid
CHEMBL345
EC50 4.16 4.16 70000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nucleic Acid EC50 = 70000.0 nM 4.16 Inhibition of HCV RNA replication in a subgenomic bicistronic replicon assay in ... 15456273

Literature References

PubMed DOI Target Context # Activities
15456273 10.1021/jm040068f Nucleic Acid 1
15456273 10.1021/jm040068f NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine