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Compound Detail

CHEMBL269684

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Cc1ccc(C)n1-c1cc2c(cc1C(F)(F)F)[nH]c(=O)c(=O)n2CC(=O)O

Basic Information

ChEMBL ID CHEMBL269684
Phase Preclinical
Structure Type MOL
InChI Key WGJFBLOCYCDHRN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.3
MW (Da)
2.20
ALogP
5
HBA
2
HBD
97.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14F3N3O4
MW 381.31
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.02

Activity Summary

Ki 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic AMPA
CHEMBL2096670
Ki 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic AMPA Ki = 2000.0 nM 5.7 Displacement of [3H]AMPA from AMPA receptor -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00170-4 Glutamate receptor ionotropic AMPA 1

Data from ChEMBL 36 via Core Engine