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Compound Detail

CHEMBL190899

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CONC(=O)[C@H](C)c1ccc(CC(C)C)cc1

Basic Information

ChEMBL ID CHEMBL190899
Phase Preclinical
Structure Type MOL
InChI Key UOURTTOYLTUYKY-LLVKDONJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

235.3
MW (Da)
2.67
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.80
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 C14H21NO2
MW 235.33
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.41

Activity Summary

IC50 1 meas. best 8.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-8 receptors, CXCR1/CXCR2
CHEMBL2096909
IC50 8.74 8.74 1.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15974585 10.1021/jm049082i Interleukin-8 receptors, CXCR1/CXCR2 2
15974585 10.1021/jm049082i Prostaglandin G/H synthase (cyclooxygenase) 1

Data from ChEMBL 36 via Core Engine