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Compound Detail

CHEMBL325500

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N[C@@](Cc1ccccc1)(C(=O)O)C1C[C@@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL325500
Phase Preclinical
Structure Type MOL
InChI Key XQZXVWQHFHFIIL-BOURZNODSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

249.3
MW (Da)
0.73
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15NO4
MW 249.27
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.35

Literature References

PubMed DOI Target Context # Activities
9464366 10.1021/jm970497w Unchecked 1
9464366 10.1021/jm970497w Metabotropic glutamate receptor 2 1
9464366 10.1021/jm970497w Metabotropic glutamate receptor 3 1

Data from ChEMBL 36 via Core Engine