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Compound Detail

CHEMBL184321

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COC(=O)c1ccc(CC/N=C(\N)Nc2nc(C)cc(C)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL184321
Phase Preclinical
Structure Type MOL
InChI Key QJGDMKPAWIAHST-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
1.85
ALogP
5
HBA
2
HBD
102.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21N5O2
MW 327.39
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.71

Activity Summary

IC50 1 meas. best 4.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus
CHEMBL379
 IC50 4.54 4.54 29000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatitis C virus IC50 = 29000.0 nM 4.54 In vitro inhibitory concentration against hepatitis C virus internal ribosome en... 15380215

Literature References

PubMed DOI Target Context # Activities
15380215 10.1016/j.bmcl.2004.07.066 Hepatitis C virus 2

Data from ChEMBL 36 via Core Engine