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Compound Detail

CHEMBL5629950

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O=C(NCCCNC(=O)n1cc(F)c(=O)[nH]c1=O)c1cc2ccccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5629950
Phase Preclinical
Structure Type MOL
InChI Key YQWFLPRHIACOBN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

373.3
MW (Da)
0.53
ALogP
5
HBA
4
HBD
128.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16FN5O4
MW 373.34
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.13

Activity Summary

IC50 1 meas. best 5.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Replicase polyprotein 1ab
CHEMBL4523582
 IC50 5.58 5.58 2600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Replicase polyprotein 1ab IC50 = 2600.0 nM 5.58 Inhibition of recombinant full length his tagged C-terminal SARS-CoV 2 main prot... 37633203

Literature References

PubMed DOI Target Context # Activities
37633203 10.1016/j.ejmech.2023.115720 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine