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Compound Detail

CHEMBL48054

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CC(C)(C)Cc1onc(OCC(=O)O)c1CC(N)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL48054
Phase Preclinical
Structure Type MOL
InChI Key PCUIJNKMRRQDSL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

300.3
MW (Da)
0.68
ALogP
6
HBA
3
HBD
135.9
PSA (Ų)
0.67
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 C13H20N2O6
MW 300.31
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.16

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