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

CHEMBL238413

PHENOLBETAIN
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
COc1c(O)cc2c(c1OC)C=[N+](C)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL238413
Name PHENOLBETAIN
Phase Preclinical
Structure Type MOL
InChI Key FBTVHOVKCOJXHO-UHFFFAOYSA-O
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

222.3
MW (Da)
1.03
ALogP
3
HBA
1
HBD
41.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H16NO3+
MW 222.26
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 2.13

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17723297 10.1016/j.bmcl.2007.08.027 Hepatitis B virus 2
17723297 10.1016/j.bmcl.2007.08.027 Unchecked 2
17723297 10.1016/j.bmcl.2007.08.027 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine