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Compound Detail

CHEMBL173847

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CCCCc1c(O)noc1C[C@@H](N)C(=O)O

Basic Information

ChEMBL ID CHEMBL173847
Phase Preclinical
Structure Type MOL
InChI Key LQDSYQNNYIFHKU-SSDOTTSWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

228.2
MW (Da)
0.68
ALogP
5
HBA
3
HBD
109.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H16N2O4
MW 228.25
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.30

Activity Summary

IC50 1 meas. best 6.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.24 6.24 570.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 570.0 nM 6.24 In vitro binding affinity against Metabotropic glutamate receptor using [3H](S)-... 9526567

Literature References

PubMed DOI Target Context # Activities
9526567 10.1021/jm9706731 Mus musculus 2
9526567 10.1021/jm9706731 Glutamate receptor ionotropic, AMPA 1
9526567 10.1021/jm9706731 Unchecked 1
9526567 10.1021/jm9706731 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine