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

CHEMBL122447

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
O=C1c2cccc(OCc3ccccc3)c2Cc2c(OCc3ccccc3)cccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL122447
Phase Preclinical
Structure Type MOL
InChI Key KNRXIDIOQAZEIT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
5.98
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H22O3
MW 406.48
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.12

Literature References

PubMed DOI Target Context # Activities
9371243 10.1021/jm970292n Molecular identity unknown 2
9371243 10.1021/jm970292n No relevant target 1
9371243 10.1021/jm970292n HaCaT 1

Data from ChEMBL 36 via Core Engine