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Compound Detail

CHEMBL139060

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Nc1c(Cl)c(Cl)cc2c1[nH]c(=O)c(=O)n2O

Basic Information

ChEMBL ID CHEMBL139060
Phase Preclinical
Structure Type MOL
InChI Key NHKGBNLDBGPDBH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

262.1
MW (Da)
0.82
ALogP
5
HBA
3
HBD
101.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H5Cl2N3O3
MW 262.05
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.49

Activity Summary

IC50 1 meas. best 5.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.75 5.75 1800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1800.0 nM 5.75 Electrophysiological assays in Xenopus oocytes expressing cloned NMDA receptor (... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00036-4 Glutamate receptor ionotropic, NMDA 1 1
- 10.1016/0960-894X(96)00036-4 Unchecked 1

Data from ChEMBL 36 via Core Engine