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Compound Detail

CHEMBL92194

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[O-][n+]1cc(C(F)(F)F)c(Cl)c2nc(O)c(O)nc21

Basic Information

ChEMBL ID CHEMBL92194
Phase Preclinical
Structure Type MOL
InChI Key LUTXTKNARPKBHJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

281.6
MW (Da)
1.35
ALogP
5
HBA
2
HBD
93.2
PSA (Ų)
0.56
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 C8H3ClF3N3O3
MW 281.58
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.69

Activity Summary

Ki 1 meas. best 5.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
Ki 5.43 5.43 3715.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, NMDA 1 Ki = 3715.35 nM 5.43 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