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Compound Detail

CHEMBL277479

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O=C(Cc1c(C(=O)O)[nH]c2cc(Cl)ccc12)NCCc1ccccc1

Basic Information

ChEMBL ID CHEMBL277479
Phase Preclinical
Structure Type MOL
InChI Key CGCSTSUYMJOCAV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.8
MW (Da)
3.42
ALogP
2
HBA
3
HBD
82.2
PSA (Ų)
0.63
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 C19H17ClN2O3
MW 356.81
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.89

Activity Summary

Ki 1 meas. best 6.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
Ki 6.2 6.2 630.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1849994 10.1021/jm00108a007 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine