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Compound Detail

CHEMBL4861949

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O=C(Nc1cccc(C(F)=C2CCN(C(F)(F)F)CC2)n1)c1c(F)cc(F)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4861949
Phase Preclinical
Structure Type MOL
InChI Key DZSWEBRPEYBJDZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

433.3
MW (Da)
5.05
ALogP
3
HBA
1
HBD
45.2
PSA (Ų)
0.54
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14F7N3O
MW 433.33
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
34419891 10.1016/j.ejmech.2021.113782 5-hydroxytryptamine receptor 1F 1

Data from ChEMBL 36 via Core Engine