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Compound Detail

CHEMBL5631334

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CC(C)(C)OC(=O)N1CCC(CCCNC(=O)n2cc(F)c(=O)[nH]c2=O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5631334
Phase Preclinical
Structure Type MOL
InChI Key KIMAGKJQPHKEMO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.4
MW (Da)
1.66
ALogP
6
HBA
2
HBD
113.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H27FN4O5
MW 398.44
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -1.10

Activity Summary

IC50 1 meas. best 5.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Replicase polyprotein 1ab
CHEMBL4523582
 IC50 5.47 5.47 3400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Replicase polyprotein 1ab IC50 = 3400.0 nM 5.47 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