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Compound Detail

CHEMBL1205735

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Nc1c(NCCCC(=O)O)c(=O)c1=O

Basic Information

ChEMBL ID CHEMBL1205735
Phase Preclinical
Structure Type MOL
InChI Key GAJHFPYRNGGGFX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

198.2
MW (Da)
-0.86
ALogP
5
HBA
3
HBD
109.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H10N2O4
MW 198.18
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.13

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate [NMDA] receptor
CHEMBL2094124
IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate [NMDA] receptor IC50 = 10000.0 nM 5.0 Antagonist activity at NMDA receptor (unknwon origin) 21413808

Literature References

PubMed DOI Target Context # Activities
21413808 10.1021/jm1013693 Glutamate [NMDA] receptor 1

Data from ChEMBL 36 via Core Engine