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Compound Detail

CHEMBL298284

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Cc1cc([N+](=O)[O-])c2nc(O)c(O)nc2c1

Basic Information

ChEMBL ID CHEMBL298284
Phase Preclinical
Structure Type MOL
InChI Key ZRPDPKYZSUQWJP-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

221.2
MW (Da)
1.26
ALogP
6
HBA
2
HBD
109.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H7N3O4
MW 221.17
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.20

Activity Summary

IC50 3 meas. best 5.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate [NMDA] receptor
CHEMBL2094124
IC50 5.03 5.03 9300.0 1
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
IC50 5.03 5.03 9300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12699379 10.1021/jm0210156 Glutamate [NMDA] receptor 2
9057859 10.1021/jm960654b Glutamate receptor ionotropic, NMDA 1 1

Data from ChEMBL 36 via Core Engine