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Compound Detail

CHEMBL418837

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COC(C(=O)O)c1c(O)noc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL418837
Phase Preclinical
Structure Type MOL
InChI Key ITIIRROMYLIKFO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

187.2
MW (Da)
0.46
ALogP
5
HBA
2
HBD
92.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H9NO5
MW 187.15
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.57

Literature References

PubMed DOI Target Context # Activities
7523673 10.1021/jm00046a009 Glutamate NMDA receptor 2
7523673 10.1021/jm00046a009 Glutamate receptor ionotropic, AMPA 1
7523673 10.1021/jm00046a009 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine