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Compound Detail

CHEMBL179364

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O=C(O)c1[nH]c2cc(Cl)cc(Cl)c2c1/C=C/C(=O)N1CCCCC1

Basic Information

ChEMBL ID CHEMBL179364
Phase Preclinical
Structure Type MOL
InChI Key HJZNSLWFNZSYOU-SNAWJCMRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

367.2
MW (Da)
4.20
ALogP
2
HBA
2
HBD
73.4
PSA (Ų)
0.80
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 C17H16Cl2N2O3
MW 367.23
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.63

Activity Summary

IC50 1 meas. best 7.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 7.42 7.42 38.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15715469 10.1021/jm0491849 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine