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Compound Detail

CHEMBL4573311

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C[C@H](Nc1nc(-c2c[nH]c3ncc(F)cc23)cn(C)c1=O)c1cccc(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4573311
Phase Preclinical
Structure Type MOL
InChI Key AUKZFYPVFYVFBF-NSHDSACASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
3.77
ALogP
5
HBA
2
HBD
75.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17F2N5O
MW 381.39
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.34

Activity Summary

Kd 1 meas. best 4.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Kd 4.59 4.59 25670.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Kd = 25670.0 nM 4.59 Binding affinity to influenza virus PB2 transformed into Escherichia coli rosset... 31053507

Literature References

PubMed DOI Target Context # Activities
31053507 10.1016/j.bmcl.2019.04.042 Unchecked 1

Data from ChEMBL 36 via Core Engine