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Compound Detail

CHEMBL187166

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Cc1cc(C)nc(/N=C(\N)NCCc2ccccn2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL187166
Phase Preclinical
Structure Type MOL
InChI Key MXXQYRLAKWTXSE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

270.3
MW (Da)
1.27
ALogP
4
HBA
2
HBD
89.1
PSA (Ų)
0.64
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 C14H18N6
MW 270.34
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.50

Activity Summary

IC50 1 meas. best 4.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus
CHEMBL379
 IC50 4.41 4.41 39000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatitis C virus IC50 = 39000.0 nM 4.41 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