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Compound Detail

CHEMBL356502

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C[C@]1(C(=O)O)[C@@H]2CC[C@@](N)(C(=O)O)[C@@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL356502
Phase Preclinical
Structure Type MOL
InChI Key WXRKAQKFVNVVIZ-QLKUOXBQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

199.2
MW (Da)
-0.10
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.58
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 C9H13NO4
MW 199.21
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 1.59

Literature References

PubMed DOI Target Context # Activities
11123999 10.1021/jm000346k Metabotropic glutamate receptor 2 2
11123999 10.1021/jm000346k Metabotropic glutamate receptor 3 2

Data from ChEMBL 36 via Core Engine