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Compound Detail

CHEMBL303799

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CP(=O)(O)c1cc2c(Cl)cc(Cl)cc2nc1O

Basic Information

ChEMBL ID CHEMBL303799
Phase Preclinical
Structure Type MOL
InChI Key CZFASZDFWBRWNS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

292.1
MW (Da)
2.77
ALogP
3
HBA
2
HBD
70.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H8Cl2NO3P
MW 292.06
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.78

Activity Summary

IC50 1 meas. best 4.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 4.29 4.29 51000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 51000.0 nM 4.29 Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1 in Xenop... 8568808

Literature References

PubMed DOI Target Context # Activities
8568808 10.1021/jm950323j Glutamate receptor ionotropic, kainate 1
8568808 10.1021/jm950323j Glutamate NMDA receptor 1
8568808 10.1021/jm950323j Unchecked 1

Data from ChEMBL 36 via Core Engine