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Compound Detail

CHEMBL39743

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NC(Cc1nc2cc(C(F)(F)F)ccc2n1CP(=O)(O)O)C(=O)O

Basic Information

ChEMBL ID CHEMBL39743
Phase Preclinical
Structure Type MOL
InChI Key WVMUCXKOPOQJBH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

367.2
MW (Da)
1.14
ALogP
5
HBA
4
HBD
138.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H13F3N3O5P
MW 367.22
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.82

Activity Summary

IC50 1 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 6.12 6.12 750.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 750.0 nM 6.12 Displacement of [3H]CPP from rat synaptic membrane glutamate NMDA receptor 11334562

Literature References

PubMed DOI Target Context # Activities
11334562 10.1021/jm000385w Glutamate NMDA receptor 2
11334562 10.1021/jm000385w Mus musculus 1

Data from ChEMBL 36 via Core Engine