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Compound Detail

CHEMBL259719

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O=c1ccccn1Cc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL259719
Phase Preclinical
Structure Type MOL
InChI Key LUGRWRIBWQVELU-DSPGLSBSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

359.3
MW (Da)
-1.35
ALogP
10
HBA
3
HBD
135.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17N5O5
MW 359.34
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.24

Activity Summary

EC50 1 meas. best 4.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus
CHEMBL379
 EC50 4.04 4.04 91000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatitis C virus EC50 = 91000.0 nM 4.04 Antiviral activity against Hepatitis C virus 1b after 3 days 18078757

Literature References

PubMed DOI Target Context # Activities
18078757 10.1016/j.bmc.2007.11.067 L1210 1
18078757 10.1016/j.bmc.2007.11.067 HL-60 1
18078757 10.1016/j.bmc.2007.11.067 CCRF-CEM 1
18078757 10.1016/j.bmc.2007.11.067 Hepatitis C virus 1
18078757 10.1016/j.bmc.2007.11.067 NON-PROTEIN TARGET 1
18078757 10.1016/j.bmc.2007.11.067 HeLa 1

Data from ChEMBL 36 via Core Engine