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

CHEMBL5172980

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
CC(C)(O)CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5172980
Phase Preclinical
Structure Type MOL
InChI Key ZKEHDQGXEYXKFI-UHFFFAOYSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
3.28
ALogP
6
HBA
4
HBD
111.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H20O6
MW 356.37
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 1.64

Activity Summary

IC50 4 meas.

Literature References

PubMed DOI Target Context # Activities
35271771 10.1021/acs.jnatprod.1c01035 ADMET 3
35271771 10.1021/acs.jnatprod.1c01035 A-375 1
35271771 10.1021/acs.jnatprod.1c01035 HCT-116 1
35271771 10.1021/acs.jnatprod.1c01035 MDA-MB-231 1
35271771 10.1021/acs.jnatprod.1c01035 HaCaT 1

Data from ChEMBL 36 via Core Engine