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Compound Detail

CHEMBL141754

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O=C(Nc1c(C(=O)O)[nH]c2cc(Cl)ccc12)c1ccccc1

Basic Information

ChEMBL ID CHEMBL141754
Phase Preclinical
Structure Type MOL
InChI Key GNRXEFVISALVBN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

314.7
MW (Da)
3.77
ALogP
2
HBA
3
HBD
82.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11ClN2O3
MW 314.73
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.08

Activity Summary

IC50 1 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
IC50 5.52 5.52 3000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)81105-7 Glutamate receptor ionotropic, NMDA 1 1

Data from ChEMBL 36 via Core Engine