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

CHEMBL479060

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
COc1cc(C=O)c(-c2ccccc2)c2c1OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL479060
Phase Preclinical
Structure Type MOL
InChI Key HMBQBNYBVPPXHU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

256.3
MW (Da)
2.90
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12O4
MW 256.26
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.70

Literature References

PubMed DOI Target Context # Activities
18782668 10.1016/j.bmcl.2008.08.050 DU-145 1
18782668 10.1016/j.bmcl.2008.08.050 A549 1
18782668 10.1016/j.bmcl.2008.08.050 KB 1
18782668 10.1016/j.bmcl.2008.08.050 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine