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

CHEMBL1789656

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
COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CCC(C)(C)O)CCC(C)(C)O4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789656
Phase Preclinical
Structure Type MOL
InChI Key REZOIULTUMSCRT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
4.17
ALogP
7
HBA
3
HBD
109.4
PSA (Ų)
0.54
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 C24H28O7
MW 428.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 2.14

Literature References

PubMed DOI Target Context # Activities
32795625 10.1016/j.bmcl.2020.127494 Staphylococcus aureus 5
32795625 10.1016/j.bmcl.2020.127494 Pseudomonas aeruginosa 5
32795625 10.1016/j.bmcl.2020.127494 Enterococcus faecalis 2
30978023 10.1021/acs.jnatprod.9b00046 HeLa S3 1
30978023 10.1021/acs.jnatprod.9b00046 KB 1
30978023 10.1021/acs.jnatprod.9b00046 HepG2 1
30978023 10.1021/acs.jnatprod.9b00046 MCF7 1
30978023 10.1021/acs.jnatprod.9b00046 HT-29 1
32795625 10.1016/j.bmcl.2020.127494 Bacillus subtilis 1
32795625 10.1016/j.bmcl.2020.127494 Salmonella typhi 1
32795625 10.1016/j.bmcl.2020.127494 Shigella sonnei 1

Data from ChEMBL 36 via Core Engine