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Compound Detail

CHEMBL465727

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CC(=O)OC[C@H]1O[C@@H](Oc2ccc(/C=N/NC(N)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL465727
Phase Preclinical
Structure Type MOL
InChI Key SDIVRLWVOYZOBH-YAEWTXORSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

509.5
MW (Da)
0.15
ALogP
12
HBA
2
HBD
191.1
PSA (Ų)
0.20
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27N3O11
MW 509.47
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness 0.52

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