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

CHEMBL511230

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
COc1ccc(O)c(C(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C2=CCCCC2(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL511230
Phase Preclinical
Structure Type MOL
InChI Key IUXYYPKUBGKVED-NTBWBLTPSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

422.6
MW (Da)
6.70
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H34O4
MW 422.57
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 1.41

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19036585 10.1016/j.bmcl.2008.11.028 NON-PROTEIN TARGET 1
19036585 10.1016/j.bmcl.2008.11.028 Fibroblast 1
19036585 10.1016/j.bmcl.2008.11.028 ADMET 1

Data from ChEMBL 36 via Core Engine