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Compound Detail

CHEMBL294308

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Oc1nc2cc(C(F)(F)F)c(-n3ccnc3)cc2n2ccnc12

Basic Information

ChEMBL ID CHEMBL294308
Phase Preclinical
Structure Type MOL
InChI Key ZPSHBDBNFJISFL-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

319.2
MW (Da)
2.79
ALogP
6
HBA
1
HBD
68.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H8F3N5O
MW 319.25
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.64

Activity Summary

IC50 1 meas. best 6.5
Ki 1 meas. best 7.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
Ki 7.18 7.18 66.0 1
Rattus norvegicus
CHEMBL376
IC50 6.5 6.5 320.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9207947 10.1021/jm960664c Glutamate NMDA receptor 2
9207947 10.1021/jm960664c Glutamate receptor ionotropic, AMPA 1
9207947 10.1021/jm960664c Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine