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Compound Detail

CHEMBL571453

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O=C(Nc1cccc(C(F)(F)F)c1)c1ccccn1

Basic Information

ChEMBL ID CHEMBL571453
Phase Preclinical
Structure Type MOL
InChI Key QJUCVRVRFWBVTF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names

Molecular Properties

266.2
MW (Da)
3.35
ALogP
2
HBA
1
HBD
42.0
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H9F3N2O
MW 266.22
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -2.14

Activity Summary

EC50 1 meas. best 5.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2787
EC50 5.75 5.75 1800.0 1

Pharmacokinetic Data

Parameter Value Units Species
Fu 0.029 - Rattus norvegicus
Fu 0.013 - Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19469556 10.1021/jm9005065 Metabotropic glutamate receptor 4 6
19469556 10.1021/jm9005065 Plasma 2
19469556 10.1021/jm9005065 Liver microsomes 2

Data from ChEMBL 36 via Core Engine