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Compound Detail

CHEMBL5872734

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Basic Information

ChEMBL ID CHEMBL5872734
Phase Preclinical
Structure Type MOL
InChI Key AQACCMRPIZQLDS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

582.6
MW (Da)
1.10
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.38
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C48H6
MW 582.58
Aromatic Rings 0
Heavy Atoms 48
NP-Likeness 0.29

Activity Summary

Ki 1 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Replicase polyprotein 1ab
CHEMBL4523582
Ki 7.77 7.77 17.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Replicase polyprotein 1ab Ki = 17.0 nM 7.77 SARS-CoV-2 Coronavirus 3C Protease FRET Assay: The proteolytic activity of the m... -

Data from ChEMBL 36 via Core Engine