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Compound Detail

CHEMBL549669

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O=C(Nc1cccc(C(F)(F)F)n1)c1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL549669
Phase Preclinical
Structure Type MOL
InChI Key FQPIEHXRKMCSSJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

267.2
MW (Da)
2.75
ALogP
3
HBA
1
HBD
54.9
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 C12H8F3N3O
MW 267.21
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -2.06

Literature References

PubMed DOI Target Context # Activities
19469556 10.1021/jm9005065 Metabotropic glutamate receptor 4 4

Data from ChEMBL 36 via Core Engine