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Compound Detail

CHEMBL315484

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CCn1c(=O)c2nc(C(=O)O)nn2c2ccc(Cl)cc21

Basic Information

ChEMBL ID CHEMBL315484
Phase Preclinical
Structure Type MOL
InChI Key OLADZCCQHZHLFC-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

292.7
MW (Da)
1.42
ALogP
6
HBA
1
HBD
89.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H9ClN4O3
MW 292.68
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.63

Activity Summary

Ki 2 meas. best 4.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
Ki 4.06 4.055 88000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10395489 10.1021/jm981102r Glutamate receptor ionotropic, NMDA 1 2
12954059 10.1021/jm030833a Glutamate receptor ionotropic, AMPA 1
12954059 10.1021/jm030833a Glutamate receptor ionotropic, NMDA 1 1
10395489 10.1021/jm981102r Glutamate receptor ionotropic, AMPA 1

Data from ChEMBL 36 via Core Engine