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Compound Detail

CHEMBL159896

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O=C(O)Cc1ccccc1NC(=O)C[C@@H]1CCc2cc(Cl)cc3[nH]c(C(=O)O)c1c23
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL159896
Phase Preclinical
Structure Type MOL
InChI Key GEZYNNQVBWEXJA-ZDUSSCGKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

426.9
MW (Da)
4.21
ALogP
3
HBA
4
HBD
119.5
PSA (Ų)
0.47
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 C22H19ClN2O5
MW 426.86
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.56

Activity Summary

IC50 1 meas. best 8.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
 IC50 8.12 8.12 7.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, NMDA 1 IC50 = 7.6 nM 8.12 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