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Compound Detail

CHEMBL43372

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O=C(CCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)Nc1ccccc1

Basic Information

ChEMBL ID CHEMBL43372
Phase Preclinical
Structure Type MOL
InChI Key JSVKMSWJZVKEGB-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

377.2
MW (Da)
4.74
ALogP
2
HBA
3
HBD
82.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14Cl2N2O3
MW 377.23
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.07

Activity Summary

IC50 2 meas. best 7.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 7.44 7.44 36.4 1
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
IC50 7.44 7.44 36.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9406596 10.1021/jm970417o Albumin 1
9406596 10.1021/jm970417o Glutamate NMDA receptor 1
9406596 10.1021/jm970417o No relevant target 1
- 10.1016/S0960-894X(00)80444-8 Glutamate receptor ionotropic, NMDA 1 1

Data from ChEMBL 36 via Core Engine