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Compound Detail

CHEMBL316833

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CC1(C)CC(=O)C(C2=C(Cl)C(=O)c3ccccc3C2=O)C(=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL316833
Phase Preclinical
Structure Type MOL
InChI Key KACJILXRDXHVHH-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

330.8
MW (Da)
3.13
ALogP
4
HBA
0
HBD
68.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15ClO4
MW 330.77
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.13

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
10522707 10.1016/s0960-894x(99)00489-8 Human rhinovirus A protease 1
10522707 10.1016/s0960-894x(99)00489-8 Neutrophil elastase 1

Data from ChEMBL 36 via Core Engine