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Compound Detail

CHEMBL36988

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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 CHEMBL36988
Phase Preclinical
Structure Type MOL
InChI Key YFYNOWXBIBKGHB-MHTLYPKNSA-N
0
Targets
5
Activities
2
Assay Types
0
PK Parameters
8
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

EC50 4 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
10425091 10.1021/jm990182b Unchecked 2
12014964 10.1021/jm010261z Vesicular glutamate transporter 3 1
10229625 10.1021/jm980571q Metabotropic glutamate receptor 1 1
10229625 10.1021/jm980571q Metabotropic glutamate receptor 2 1
3351864 10.1021/jm00399a030 Unchecked 1
9301676 10.1021/jm970207b Metabotropic glutamate receptor 1 1
9301676 10.1021/jm970207b Metabotropic glutamate receptor 2 1
9301676 10.1021/jm970207b Metabotropic glutamate receptor 4 1

Data from ChEMBL 36 via Core Engine