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Compound Detail

CHEMBL148689

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Cc1ccc(CN2C(=O)C(=O)c3cc(C(N)=O)ccc32)cc1

Basic Information

ChEMBL ID CHEMBL148689
Phase Preclinical
Structure Type MOL
InChI Key QOGZOHZBTXDGGJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

294.3
MW (Da)
1.82
ALogP
3
HBA
1
HBD
80.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14N2O3
MW 294.31
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.07

Activity Summary

Ki 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human rhinovirus A protease
CHEMBL2857
Ki 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human rhinovirus A protease Ki = 10.0 nM 8.0 Inhibition of human rhinovirus 3C protease 8978838

Literature References

PubMed DOI Target Context # Activities
8978838 10.1021/jm960603e Human rhinovirus A protease 1

Data from ChEMBL 36 via Core Engine