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Compound Detail

CHEMBL1594763

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CC(=O)c1cc2c(cc1NC(=O)CN1CCN(C(c3ccccc3)c3ccccc3)CC1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1594763
Phase Preclinical
Structure Type MOL
InChI Key BAILXRGMLHARTM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

471.6
MW (Da)
3.96
ALogP
6
HBA
1
HBD
71.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H29N3O4
MW 471.56
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.19

Activity Summary

IC50 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Staphylococcus aureus
CHEMBL352
 IC50 5.82 5.82 1510.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Staphylococcus aureus IC50 = 1510.0 nM 5.82 PUBCHEM_BIOASSAY: Inhibitors of Bacterial Quorum Sensing Structure Activity Rela... -

Data from ChEMBL 36 via Core Engine