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Compound Detail

CHEMBL373117

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C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ncc2c(N)ncnc21

Basic Information

ChEMBL ID CHEMBL373117
Phase Preclinical
Structure Type MOL
InChI Key BOXLLSGMYOXBLC-JJHYMCDRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

281.3
MW (Da)
-1.59
ALogP
9
HBA
4
HBD
139.5
PSA (Ų)
0.52
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 C11H15N5O4
MW 281.27
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.71

Activity Summary

IC50 1 meas. best 4.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus
CHEMBL379
IC50 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatitis C virus IC50 = 100000.0 nM 4.0 Antiviral activity against Hepatitis C virus 19112024

Literature References

PubMed DOI Target Context # Activities
15456273 10.1021/jm040068f Nucleic Acid 1
15456273 10.1021/jm040068f NON-PROTEIN TARGET 1
19112024 10.1016/j.bmc.2008.11.075 Hepatitis C virus 1

Data from ChEMBL 36 via Core Engine