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Compound Detail

CHEMBL316521

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CCCCC[C@@H]1[C@H](C(=O)O)[C@H]1C(N)(CCc1ccccc1)C(=O)O

Basic Information

ChEMBL ID CHEMBL316521
Phase Preclinical
Structure Type MOL
InChI Key NYARZLICFNSMNH-JKNQXWEOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
2.93
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H27NO4
MW 333.43
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.62

Activity Summary

IC50 1 meas. best 6.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
IC50 6.28 6.28 530.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus IC50 = 530.0 nM 6.28 Antagonistic activity was evaluated by using ACPD sensitive [3H]-glutamate bindi... 9873635

Literature References

PubMed DOI Target Context # Activities
9873635 10.1016/s0960-894x(98)00510-1 Rattus norvegicus 1
9873635 10.1016/s0960-894x(98)00510-1 Metabotropic glutamate receptor 2 1
9873635 10.1016/s0960-894x(98)00510-1 Metabotropic glutamate receptor 3 1

Data from ChEMBL 36 via Core Engine