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Compound Detail

CHEMBL274219

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CCN(CC)Cc1ccn(-c2cc3c(cc2C(F)(F)F)[nH]c(=O)c(=O)n3CC(=O)O)c1

Basic Information

ChEMBL ID CHEMBL274219
Phase Preclinical
Structure Type MOL
InChI Key IFNJBSHPAUZGBB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.4
MW (Da)
2.43
ALogP
6
HBA
2
HBD
100.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21F3N4O4
MW 438.41
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.19

Activity Summary

Ki 1 meas. best 6.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic AMPA
CHEMBL2096670
Ki 6.05 6.05 890.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic AMPA Ki = 890.0 nM 6.05 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