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Compound Detail

CHEMBL131409

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NCc1ccc(NC(=O)CCc2c(C(=O)O)[nH]c3cc(Cl)cc(Cl)c23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL131409
Phase Preclinical
Structure Type MOL
InChI Key ARFQAYYPDGAEEL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

406.3
MW (Da)
4.20
ALogP
3
HBA
4
HBD
108.2
PSA (Ų)
0.49
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 C19H17Cl2N3O3
MW 406.27
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.94

Activity Summary

IC50 1 meas. best 7.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
 IC50 7.57 7.57 27.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 27.0 nM 7.57 In vitro inhibition of [3H]glycine at NMDA receptor 7990104

Literature References

PubMed DOI Target Context # Activities
7990104 10.1021/jm00050a001 Glutamate NMDA receptor 1
7990104 10.1021/jm00050a001 Mus musculus 1

Data from ChEMBL 36 via Core Engine