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Compound Detail

CHEMBL365897

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Cc1cc(C)nc(N/C(N)=N/C[C@@H](C)c2ccccc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL365897
Phase Preclinical
Structure Type MOL
InChI Key QGISGMXMMYRWQD-LLVKDONJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

283.4
MW (Da)
2.62
ALogP
3
HBA
2
HBD
76.2
PSA (Ų)
0.67
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 C16H21N5
MW 283.38
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.85

Activity Summary

IC50 1 meas. best 4.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus
CHEMBL379
 IC50 4.68 4.68 21000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatitis C virus IC50 = 21000.0 nM 4.68 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