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Compound Detail

CHEMBL104116

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NC1(C(=O)O)CC(C(=O)O)C(C(=O)O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL104116
Phase Preclinical
Structure Type MOL
InChI Key FERIKTBTNCSGJS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

217.2
MW (Da)
-1.04
ALogP
4
HBA
4
HBD
137.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H11NO6
MW 217.18
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.62

Activity Summary

EC50 1 meas. best 4.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2736
 EC50 4.4 4.4 40000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 4 EC50 = 40000.0 nM 4.4 Agonist activity against Metabotropic glutamate receptor 4 expressed in HEK 293 ... 9301676

Literature References

PubMed DOI Target Context # Activities
9301676 10.1021/jm970207b Metabotropic glutamate receptor 1 2
9301676 10.1021/jm970207b Metabotropic glutamate receptor 2 2
9301676 10.1021/jm970207b Metabotropic glutamate receptor 4 1

Data from ChEMBL 36 via Core Engine