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Compound Detail

CHEMBL1319684

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CCOC(=O)c1c(C)oc2cc(Br)c(O)c(Br)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1319684
Phase Preclinical
Structure Type MOL
InChI Key YIPWLRSUHWXVLW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

378.0
MW (Da)
4.15
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10Br2O4
MW 378.02
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.21

Activity Summary

IC50 1 meas. best 6.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Staphylococcus aureus
CHEMBL352
 IC50 6.11 6.11 779.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Staphylococcus aureus IC50 = 779.0 nM 6.11 PUBCHEM_BIOASSAY: Inhibitors of Bacterial Quorum Sensing Structure Activity Rela... -

Data from ChEMBL 36 via Core Engine