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Compound Detail

CHEMBL265683

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CCOc1ccc(CC(=O)N[C@H]2CCOC2=O)cc1

Basic Information

ChEMBL ID CHEMBL265683
Phase Preclinical
Structure Type MOL
InChI Key UCACBDCCNSRYHV-LBPRGKRZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

263.3
MW (Da)
1.06
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.81
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 C14H17NO4
MW 263.29
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.76

Activity Summary

IC50 1 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
PhzR
CHEMBL1075213
IC50 6.8 6.8 160.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
PhzR IC50 = 160.0 nM 6.8 Antagonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli... 18083553

Literature References

PubMed DOI Target Context # Activities
18083553 10.1016/j.bmcl.2007.11.095 PhzR 4

Data from ChEMBL 36 via Core Engine