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Compound Detail

CHEMBL310024

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CC1(CC(=O)O)c2ccc(Cl)c(Cl)c2-c2nc(O)c(O)nc21

Basic Information

ChEMBL ID CHEMBL310024
Phase Preclinical
Structure Type MOL
InChI Key DXVPPGKVZOYOQR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

341.1
MW (Da)
2.96
ALogP
5
HBA
3
HBD
103.5
PSA (Ų)
0.78
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 C14H10Cl2N2O4
MW 341.15
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.23

Activity Summary

IC50 1 meas. best 5.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 5.59 5.59 2550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 2550.0 nM 5.59 Displacement of [3H]dichlorokynurenate ([3H]-DCKA) from N-methyl-D-aspartate glu... 10882363

Literature References

PubMed DOI Target Context # Activities
10882363 10.1021/jm990957g Glutamate NMDA receptor 1
10882363 10.1021/jm990957g Glutamate receptor ionotropic, AMPA 1
10882363 10.1021/jm990957g Mus musculus 1

Data from ChEMBL 36 via Core Engine