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Compound Detail

CHEMBL2374433

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C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(Cl)c2c(N)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2374433
Phase Preclinical
Structure Type MOL
InChI Key YHGONMJQXOIGJS-YUTYNTIBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

314.7
MW (Da)
-0.33
ALogP
8
HBA
4
HBD
126.7
PSA (Ų)
0.60
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 C12H15ClN4O4
MW 314.73
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 1.01

Activity Summary

EC50 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nucleic Acid
CHEMBL345
 EC50 6.89 6.89 130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nucleic Acid EC50 = 130.0 nM 6.89 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