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Compound Detail

CHEMBL423518

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O=c1cc(O)c2c(Cl)cc(Cl)cc2[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL423518
Phase Preclinical
Structure Type MOL
InChI Key IVQSLDXBGHALCQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

258.1
MW (Da)
1.90
ALogP
3
HBA
2
HBD
70.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H5Cl2NO3
MW 258.06
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.25

Activity Summary

IC50 1 meas. best 7.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
 IC50 7.51 7.51 31.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 31.0 nM 7.51 In vitro inhibition of [3H]glycine at NMDA receptor 7990104

Literature References

PubMed DOI Target Context # Activities
7990104 10.1021/jm00050a001 Glutamate NMDA receptor 1
7990104 10.1021/jm00050a001 Gerbillinae 1

Data from ChEMBL 36 via Core Engine