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Compound Detail

CHEMBL179147

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O=C(O)/C(=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL179147
Phase Preclinical
Structure Type MOL
InChI Key AEBCIAPTFVBJOX-YRNVUSSQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.6
MW (Da)
5.45
ALogP
2
HBA
3
HBD
90.4
PSA (Ų)
0.50
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H10Cl3NO4
MW 410.64
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.41

Activity Summary

IC50 1 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
 IC50 7.19 7.19 65.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 65.0 nM 7.19 Antagonist activity of compound against rat N-methyl-D-aspartate glutamate recep... 15715469

Literature References

PubMed DOI Target Context # Activities
15715469 10.1021/jm0491849 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine