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Compound Detail

CHEMBL107845

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N[C@]1(C(=O)O)CC[C@@H](C(=O)O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL107845
Phase Preclinical
Structure Type MOL
InChI Key YFYNOWXBIBKGHB-CLZZGJSISA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

173.2
MW (Da)
-0.35
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.53
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 C7H11NO4
MW 173.17
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 0.92

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
9301676 10.1021/jm970207b Metabotropic glutamate receptor 4 2
3351864 10.1021/jm00399a030 Unchecked 1
9301676 10.1021/jm970207b Metabotropic glutamate receptor 1 1
9301676 10.1021/jm970207b Metabotropic glutamate receptor 2 1
20708942 10.1016/j.bmc.2010.06.069 Unchecked 1

Data from ChEMBL 36 via Core Engine