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

CHEMBL2171329

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(/C=C/C(=O)O)ccc1OCCO[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171329
Phase Preclinical
Structure Type MOL
InChI Key WXYQLRQBMASZKE-HWKANZROSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

283.2
MW (Da)
1.38
ALogP
6
HBA
1
HBD
108.1
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H13NO7
MW 283.24
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.13

Literature References

PubMed DOI Target Context # Activities
22512543 10.1021/jm300106z Acetylcholinesterase 1
22512543 10.1021/jm300106z No relevant target 1
22512543 10.1021/jm300106z Cholinesterase 1

Data from ChEMBL 36 via Core Engine