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

CHEMBL185776

BELLIDIFOLIN
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(O)c2c(=O)c3c(O)ccc(O)c3oc2c1

Basic Information

ChEMBL ID CHEMBL185776
Name BELLIDIFOLIN
Phase Preclinical
Structure Type MOL
InChI Key JDIORNFCMMYMLF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

274.2
MW (Da)
2.07
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H10O6
MW 274.23
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness 1.61

Activity Summary

IC50 1 meas. best 6.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amine oxidase [flavin-containing] A
CHEMBL1951
IC50 6.18 6.18 660.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Amine oxidase [flavin-containing] A IC50 = 660.0 nM 6.18 Concentration required to inhibit monoamine oxidase activity by 50% 15482934

Literature References

PubMed DOI Target Context # Activities
15482934 10.1016/j.bmcl.2004.08.066 Amine oxidase [flavin-containing] A 1
18406151 10.1016/j.bmc.2008.03.069 C6 1
18406151 10.1016/j.bmc.2008.03.069 U-251 1
18406151 10.1016/j.bmc.2008.03.069 Unchecked 1
18336006 10.1021/np070690l Acetylcholinesterase 1
18336006 10.1021/np070690l Amine oxidase [flavin-containing] A 1
18336006 10.1021/np070690l Amine oxidase [flavin-containing] B 1

Data from ChEMBL 36 via Core Engine