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Compound Detail

CHEMBL186711

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COc1ccc(CC/N=C(\N)Nc2nc(C)cc(C)n2)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL186711
Phase Preclinical
Structure Type MOL
InChI Key ZCKTZTWQXHNDQW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
2.08
ALogP
5
HBA
2
HBD
94.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23N5O2
MW 329.40
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.64

Activity Summary

IC50 1 meas. best 4.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus
CHEMBL379
 IC50 4.17 4.17 68000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatitis C virus IC50 = 68000.0 nM 4.17 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