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Compound Detail

CHEMBL23961

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COc1ccc2[nH]c(C(=O)O)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL23961
Phase Preclinical
Structure Type MOL
InChI Key YEBJVSLNUMZXRJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

191.2
MW (Da)
1.87
ALogP
2
HBA
2
HBD
62.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H9NO3
MW 191.19
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.46

Literature References

PubMed DOI Target Context # Activities
1849994 10.1021/jm00108a007 Glutamate NMDA receptor 1
15115392 10.1021/jm0305117 NS3 1

Data from ChEMBL 36 via Core Engine