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Compound Detail

CHEMBL325988

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CCOC(=O)c1nc2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3n2n1

Basic Information

ChEMBL ID CHEMBL325988
Phase Preclinical
Structure Type MOL
InChI Key YKUGUNPJBXHNDH-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

337.7
MW (Da)
1.72
ALogP
9
HBA
1
HBD
132.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H8ClN5O5
MW 337.68
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.74

Activity Summary

Ki 3 meas. best 4.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
Ki 4.99 4.99 10240.0 1
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
Ki 4.33 4.33 47000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12954059 10.1021/jm030833a Glutamate receptor ionotropic, AMPA 1
12954059 10.1021/jm030833a Glutamate receptor ionotropic, NMDA 1 1
11543685 10.1021/jm010862q Glutamate receptor ionotropic, AMPA 1
11543685 10.1021/jm010862q Glutamate NMDA receptor 1
11543685 10.1021/jm010862q Glutamate receptor ionotropic, kainate 1

Data from ChEMBL 36 via Core Engine