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Compound Detail

CHEMBL248103

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O=C(O)/C=C/c1ccc(NC(=O)c2ccc3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)nc3c2)cc1

Basic Information

ChEMBL ID CHEMBL248103
Phase Preclinical
Structure Type MOL
InChI Key QWGFATBWJMPRLK-HQYXKAPLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

507.5
MW (Da)
6.59
ALogP
4
HBA
2
HBD
92.2
PSA (Ų)
0.25
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H19F2N3O3
MW 507.50
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -0.87

Activity Summary

IC50 1 meas. best 4.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.77 4.77 17000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 17000.0 nM 4.77 Inhibition of HCV NS5B RdRp 17258458

Literature References

PubMed DOI Target Context # Activities
17258458 10.1016/j.bmcl.2006.12.103 Unchecked 1

Data from ChEMBL 36 via Core Engine