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Compound Detail

CHEMBL116814

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O=[N+]([O-])c1ccc(-c2c(O)nc3cc(Cl)cc(Cl)c3c2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL116814
Phase Preclinical
Structure Type MOL
InChI Key RVJGGXHSQRVBHL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

351.1
MW (Da)
4.53
ALogP
5
HBA
2
HBD
96.5
PSA (Ų)
0.52
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 C15H8Cl2N2O4
MW 351.14
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.85

Activity Summary

Ki 1 meas. best 6.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
 Ki 6.07 6.07 860.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, NMDA 1 Ki = 860.0 nM 6.07 Ability to displace strychnine-insensitive [3H]glycine binding to rat cortical m... 1326635

Literature References

PubMed DOI Target Context # Activities
1326635 10.1021/jm00096a019 Glutamate receptor ionotropic, NMDA 1 1

Data from ChEMBL 36 via Core Engine