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Compound Detail

CHEMBL474079

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CNC(=O)/C=C(\c1ccccc1)c1ccc2nc(NCC(=O)NC)c(-c3ccc(F)cc3)n2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL474079
Phase Preclinical
Structure Type MOL
InChI Key DGVDLEHEFVHPLD-XMHGGMMESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

458.5
MW (Da)
2.87
ALogP
6
HBA
3
HBD
100.4
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23FN6O2
MW 458.50
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.33

Activity Summary

IC50 1 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Picornaviridae
CHEMBL613008
 IC50 6.96 6.96 110.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Picornaviridae IC50 = 110.0 nM 6.96 Antiviral activity against Human picornavirus 19112024

Literature References

PubMed DOI Target Context # Activities
19112024 10.1016/j.bmc.2008.11.075 Picornaviridae 1

Data from ChEMBL 36 via Core Engine