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

CHEMBL4445115

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(-c2coc3cc(OCCNC(=O)OC(C)(C)C)ccc3c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4445115
Phase Preclinical
Structure Type MOL
InChI Key AIYNOTWNKBJBHQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

411.4
MW (Da)
4.37
ALogP
6
HBA
1
HBD
87.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25NO6
MW 411.45
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.30

Literature References

PubMed DOI Target Context # Activities
30822710 10.1016/j.ejmech.2019.02.053 Acetylcholinesterase 2
30822710 10.1016/j.ejmech.2019.02.053 Histamine H3 receptor 2
30822710 10.1016/j.ejmech.2019.02.053 Cholinesterase 2
30822710 10.1016/j.ejmech.2019.02.053 No relevant target 1

Data from ChEMBL 36 via Core Engine