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Compound Detail

CHEMBL328357

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Cc1c(Cl)c(Cl)[n+]([O-])c2nc(O)c(O)nc12

Basic Information

ChEMBL ID CHEMBL328357
Phase Preclinical
Structure Type MOL
InChI Key LMDXBSXFADPIGA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

262.1
MW (Da)
1.29
ALogP
5
HBA
2
HBD
93.2
PSA (Ų)
0.42
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 -0.31

Activity Summary

Ki 1 meas. best 5.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
Ki 5.5 5.5 3162.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, NMDA 1 Ki = 3162.28 nM 5.5 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