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

CHEMBL455253

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
C=C1C(C)=Cc2c(O)c(C)c(CCOC(C)=O)c(C)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL455253
Phase Preclinical
Structure Type MOL
InChI Key CFQNNUJWXVMUGR-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

272.3
MW (Da)
3.54
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.86
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 C17H20O3
MW 272.34
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 2.17

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
12608875 10.1021/np0204085 HL-60 1

Data from ChEMBL 36 via Core Engine