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

CHEMBL5289053

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(C(=O)/C=C/c2ccc(ON=C(c3ccccc3)c3ccccc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5289053
Phase Preclinical
Structure Type MOL
InChI Key HBNAERVUVBMDAZ-KGENOOAVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

433.5
MW (Da)
6.42
ALogP
4
HBA
0
HBD
47.9
PSA (Ų)
0.14
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H23NO3
MW 433.51
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.16

Literature References

PubMed DOI Target Context # Activities
32920430 10.1016/j.ejmech.2020.112650 Amine oxidase [flavin-containing] B 1

Data from ChEMBL 36 via Core Engine