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Compound Detail

CHEMBL329176

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Cc1c(Br)c(Cl)nc2nc(O)c(O)nc12

Basic Information

ChEMBL ID CHEMBL329176
Phase Preclinical
Structure Type MOL
InChI Key GHDPGDDOALNUJY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

290.5
MW (Da)
2.16
ALogP
5
HBA
2
HBD
79.1
PSA (Ų)
0.73
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 C8H5BrClN3O2
MW 290.50
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.45

Activity Summary

Ki 1 meas. best 6.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
Ki 6.55 6.55 281.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, NMDA 1 Ki = 281.84 nM 6.55 In vitro binding affinity for glycine site on the NMDA receptor. -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(96)00492-1 Glutamate receptor ionotropic, NMDA 1 1
- 10.1016/S0960-894X(96)00492-1 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine