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Compound Detail

CHEMBL5084128

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OC[C@H]1O[C@@H](OCCCc2ccc(O)c(/C=N/O)n2)[C@H](O)[C@@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5084128
Phase Preclinical
Structure Type MOL
InChI Key ZHGLTTXYVHJFOO-IFAGIHSYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
-1.66
ALogP
10
HBA
6
HBD
165.1
PSA (Ų)
0.14
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H22N2O8
MW 358.35
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 1.37

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
35255209 10.1021/acs.jmedchem.1c01748 Acetylcholinesterase 13
35255209 10.1021/acs.jmedchem.1c01748 No relevant target 2
35255209 10.1021/acs.jmedchem.1c01748 Unchecked 1
35255209 10.1021/acs.jmedchem.1c01748 ADMET 1

Data from ChEMBL 36 via Core Engine