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Compound Detail

CHEMBL164295

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CC(=O)Nc1c(-c2ccccc2)c(O)nc2cc(Cl)ccc12

Basic Information

ChEMBL ID CHEMBL164295
Phase Preclinical
Structure Type MOL
InChI Key QNPNXBNOXXNSGL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

312.8
MW (Da)
4.22
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.74
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 C17H13ClN2O2
MW 312.76
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.94

Activity Summary

IC50 1 meas. best 4.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
IC50 4.83 4.83 14700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9057862 10.1021/jm9605492 Glutamate receptor ionotropic, NMDA 1 1
9057862 10.1021/jm9605492 Mus musculus 1

Data from ChEMBL 36 via Core Engine