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

CHEMBL513440

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
NC(=O)N/N=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL513440
Phase Preclinical
Structure Type MOL
InChI Key YQQKJTLBLYLJMV-QCOQDYPWSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

341.3
MW (Da)
-2.13
ALogP
8
HBA
6
HBD
166.9
PSA (Ų)
0.26
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H19N3O7
MW 341.32
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.56

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17574306 10.1016/j.ejmech.2007.03.018 Acetylcholinesterase 1
17574306 10.1016/j.ejmech.2007.03.018 Cholinesterase 1

Data from ChEMBL 36 via Core Engine