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

CHEMBL3134419

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
CCCCCc1cc(O)cc(O)c1C(=O)Oc1ccc(C(=O)O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3134419
Phase Preclinical
Structure Type MOL
InChI Key JKUMUJVMZAUXGF-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
3.45
ALogP
6
HBA
4
HBD
124.3
PSA (Ų)
0.34
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 C19H20O7
MW 360.36
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.81

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
24363888 10.1039/c3md00238a Escherichia coli 1
24363888 10.1039/c3md00238a Unchecked 1
24363888 10.1039/c3md00238a DNA topoisomerase 1
24363888 10.1039/c3md00238a DNA topoisomerase 2-alpha 1
24363888 10.1039/c3md00238a Bacillus subtilis 1

Data from ChEMBL 36 via Core Engine