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Compound Detail

CHEMBL4871295

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

Basic Information

ChEMBL ID CHEMBL4871295
Phase Preclinical
Structure Type MOL
InChI Key MADAKGCKOJJCCO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

415.3
MW (Da)
4.75
ALogP
3
HBA
1
HBD
45.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15F6N3O
MW 415.34
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.40

Activity Summary

IC50 1 meas. best 6.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 1F
CHEMBL1805
 IC50 6.09 6.09 813.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 1F IC50 = 813.4 nM 6.09 Agonist activity at 5HT1F receptor (unknown origin) expressed in HEK293 cells me... 34419891

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