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Compound Detail

CHEMBL334492

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O=c1[nH][nH]c(=O)c2c1[nH]c1cc(Cl)cc(Cl)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL334492
Phase Preclinical
Structure Type MOL
InChI Key ICOOPSMEAJSNMY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

270.1
MW (Da)
2.00
ALogP
2
HBA
3
HBD
81.5
PSA (Ų)
0.58
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 C10H5Cl2N3O2
MW 270.07
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -0.59

Activity Summary

IC50 1 meas. best 6.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
 IC50 6.39 6.39 410.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 410.0 nM 6.39 In vitro inhibition of [3H]glycine at NMDA receptor 7990104

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3301361 No relevant target 2
7990104 10.1021/jm00050a001 Glutamate NMDA receptor 1
7990104 10.1021/jm00050a001 Gerbillinae 1

Data from ChEMBL 36 via Core Engine