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Compound Detail

CHEMBL187011

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COc1ccccc1CC/N=C(\N)Nc1nc(C)cc(C)n1

Basic Information

ChEMBL ID CHEMBL187011
Phase Preclinical
Structure Type MOL
InChI Key BORYRGQBDPZQAC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

299.4
MW (Da)
2.07
ALogP
4
HBA
2
HBD
85.4
PSA (Ų)
0.65
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 C16H21N5O
MW 299.38
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.80

Activity Summary

IC50 1 meas. best 4.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus
CHEMBL379
IC50 4.89 4.89 13000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatitis C virus IC50 = 13000.0 nM 4.89 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