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Compound Detail

CHEMBL45698

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NC(Cc1c(OCP(=O)(O)O)noc1-c1cccs1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL45698
Phase Preclinical
Structure Type MOL
InChI Key DJODWEWINVAYQW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

348.3
MW (Da)
0.87
ALogP
7
HBA
4
HBD
156.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13N2O7PS
MW 348.27
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.50

Literature References

PubMed DOI Target Context # Activities
8648608 10.1021/jm950826p Glutamate receptor ionotropic, AMPA 3
8648608 10.1021/jm950826p Glutamate NMDA receptor 1
8648608 10.1021/jm950826p Glutamate receptor ionotropic, kainate 1

Data from ChEMBL 36 via Core Engine