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Compound Detail

CHEMBL22339

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CC(C)c1ccc2c(O)cc(C(=O)O)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL22339
Phase Preclinical
Structure Type MOL
InChI Key UBCGSSWMVUDTEL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

231.2
MW (Da)
2.76
ALogP
3
HBA
2
HBD
70.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13NO3
MW 231.25
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.26

Literature References

PubMed DOI Target Context # Activities
1826744 10.1021/jm00108a002 Glutamate NMDA receptor 2

Data from ChEMBL 36 via Core Engine