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Compound Detail

CHEMBL275334

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O=C(O)Cn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-n3ccc(CNC(=O)c4ccccc4)c3)cc21

Basic Information

ChEMBL ID CHEMBL275334
Phase Preclinical
Structure Type MOL
InChI Key MKDNTSIRYSOGBX-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

486.4
MW (Da)
2.51
ALogP
6
HBA
3
HBD
126.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17F3N4O5
MW 486.41
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.11

Activity Summary

Ki 2 meas. best 7.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic AMPA
CHEMBL2096670
Ki 7.11 7.11 78.0 1
Glutamate receptor ionotropic kainate
CHEMBL2109241
Ki 5.48 5.48 3300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00170-4 Glutamate receptor ionotropic AMPA 1
- 10.1016/S0960-894X(97)00170-4 Glutamate receptor ionotropic, NMDA 2C 1
- 10.1016/S0960-894X(97)00170-4 Glutamate receptor ionotropic kainate 1
- 10.1016/S0960-894X(97)00170-4 Mus musculus 1

Data from ChEMBL 36 via Core Engine