Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3337574

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1c1cc(C(N)=O)c2c(N)ncnn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3337574
Phase Preclinical
Structure Type MOL
InChI Key HYIPIENSSXYBPM-SQFXPHBZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

323.3
MW (Da)
-2.05
ALogP
9
HBA
5
HBD
169.2
PSA (Ų)
0.43
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 C13H17N5O5
MW 323.31
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.75

Activity Summary

EC50 1 meas. best 8.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus
CHEMBL379
 EC50 8.21 8.21 6.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatitis C virus EC50 = 6.2 nM 8.21 Antiviral activity against Hepatitis C virus genotype 1b in human HuH7 cells ass... 25288185

Literature References

PubMed DOI Target Context # Activities
25288185 10.1016/j.bmcl.2014.09.030 Hepatitis C virus 1
25288185 10.1016/j.bmcl.2014.09.030 ADMET 1

Data from ChEMBL 36 via Core Engine