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Compound Detail

CHEMBL39185

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NC1(C(=O)O)C2CCC1C(C(=O)O)C2

Basic Information

ChEMBL ID CHEMBL39185
Phase Preclinical
Structure Type MOL
InChI Key HWVSNQLIQVRAMF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
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 1.56

Activity Summary

EC50 1 meas. best 4.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 4.52 4.52 30000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 30000.0 nM 4.52 Percentage of glutamate maximal response was measured on Group II Metabotropic g... 10425091

Literature References

PubMed DOI Target Context # Activities
10229625 10.1021/jm980571q Metabotropic glutamate receptor 1 2
10229625 10.1021/jm980571q Metabotropic glutamate receptor 2 2
10425091 10.1021/jm990182b Unchecked 2

Data from ChEMBL 36 via Core Engine