Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3234393

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCc1cc(O)cc2c1Oc1c(Cl)c(O)cc(CCC)c1C(=O)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3234393
Phase Preclinical
Structure Type MOL
InChI Key NRAMLPPUDKVQNJ-UHFFFAOYSA-N
2
Targets
11
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

362.8
MW (Da)
4.98
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H19ClO5
MW 362.81
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 1.56

Activity Summary

IC50 11 meas. best 4.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Staphylococcus aureus
CHEMBL352
 IC50 4.5 4.252 32000.0 5
Staphylococcus epidermidis
CHEMBL353
 IC50 4.5 4.2933 32000.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Staphylococcus aureus IC50 = 32000.0 nM 4.5 Antibacterial activity against methicillin-sensitive Staphylococcus aureus ATCC ... 24571273
Staphylococcus epidermidis IC50 = 32000.0 nM 4.5 Antibacterial activity against methicillin-resistant Staphylococcus epidermidis ... 24571273
Staphylococcus aureus IC50 = 64000.0 nM 4.19 Antibacterial activity against methicillin-resistant Staphylococcus aureus ATCC ... 24571273
Staphylococcus aureus IC50 = 64000.0 nM 4.19 Antibacterial activity against methicillin-sensitive Staphylococcus aureus 15 af... 24571273
Staphylococcus aureus IC50 = 64000.0 nM 4.19 Antibacterial activity against methicillin-sensitive Staphylococcus aureus 12-28... 24571273
Staphylococcus aureus IC50 = 64000.0 nM 4.19 Antibacterial activity against methicillin-resistant Staphylococcus aureus 12-33... 24571273
Staphylococcus epidermidis IC50 = 64000.0 nM 4.19 Antibacterial activity against methicillin-sensitive Staphylococcus epidermidis ... 24571273
Staphylococcus epidermidis IC50 = 64000.0 nM 4.19 Antibacterial activity against methicillin-sensitive Staphylococcus epidermidis ... 24571273

Literature References

PubMed DOI Target Context # Activities
24571273 10.1021/np5000457 Staphylococcus aureus 6
24571273 10.1021/np5000457 Escherichia coli 5
24571273 10.1021/np5000457 Klebsiella pneumoniae 5
24571273 10.1021/np5000457 Enterococcus faecalis 4
24571273 10.1021/np5000457 Staphylococcus epidermidis 3
24571273 10.1021/np5000457 Enterococcus faecium 3
24571273 10.1021/np5000457 Bacillus thuringiensis 1
24571273 10.1021/np5000457 Bacillus subtilis 1

Data from ChEMBL 36 via Core Engine