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Compound Detail

CHEMBL162693

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NCc1ccc(NC(=O)C[C@@H]2CCc3cc(Cl)cc4[nH]c(C(=O)O)c2c34)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL162693
Phase Preclinical
Structure Type MOL
InChI Key YJGFPBHTLUTDBZ-ZDUSSCGKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

397.9
MW (Da)
4.04
ALogP
3
HBA
4
HBD
108.2
PSA (Ų)
0.52
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 C21H20ClN3O3
MW 397.86
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.52

Activity Summary

IC50 1 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
 IC50 7.75 7.75 18.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, NMDA 1 IC50 = 18.0 nM 7.75 Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined ... 12593650

Literature References

PubMed DOI Target Context # Activities
12593650 10.1021/jm020239l Mus musculus 2
12593650 10.1021/jm020239l Glutamate receptor ionotropic, NMDA 1 1

Data from ChEMBL 36 via Core Engine