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Compound Detail

CHEMBL149227

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NC(=O)c1ccc2c(c1)C(=O)C(=O)N2CCCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL149227
Phase Preclinical
Structure Type MOL
InChI Key MLAIEZKYCSMJFC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

308.3
MW (Da)
1.95
ALogP
3
HBA
1
HBD
80.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N2O3
MW 308.34
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.86

Activity Summary

Ki 1 meas. best 7.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human rhinovirus A protease
CHEMBL2857
 Ki 7.57 7.57 27.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human rhinovirus A protease Ki = 27.0 nM 7.57 Inhibition of human rhinovirus 3C protease 8978838

Literature References

PubMed DOI Target Context # Activities
8978838 10.1021/jm960603e HeLa 2
8978838 10.1021/jm960603e Human rhinovirus A protease 1

Data from ChEMBL 36 via Core Engine