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Compound Detail

CHEMBL359981

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Cn1c(-c2cccc(O)c2)nc(C(=O)O)c(O)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL359981
Phase Preclinical
Structure Type MOL
InChI Key DTNSUVZNLPPFGV-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

262.2
MW (Da)
0.56
ALogP
6
HBA
3
HBD
112.7
PSA (Ų)
0.73
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 C12H10N2O5
MW 262.22
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.16

Activity Summary

IC50 2 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RNA-directed RNA polymerase
CHEMBL4296320
 IC50 6.0 5.61 1000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RNA-directed RNA polymerase IC50 = 1000.0 nM 6.0 Inhibitory concentration required to inhibit HCV RNA dependent RNA polymerase No... 15481971
RNA-directed RNA polymerase IC50 = 6000.0 nM 5.22 Inhibitory concentration required to inhibit HCV RNA dependent RNA polymerase No... 15481971

Literature References

PubMed DOI Target Context # Activities
15481971 10.1021/jm0494669 RNA-directed RNA polymerase 2

Data from ChEMBL 36 via Core Engine