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Compound Detail

CHEMBL578767

FLUMEXADOL
💊 Approved Drug
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💊 Approved Drug
FC(F)(F)c1cccc(C2CNCCO2)c1

Basic Information

ChEMBL ID CHEMBL578767
Name FLUMEXADOL
Phase Approved
Structure Type MOL
InChI Key GXPYCYWPUGKQIJ-UHFFFAOYSA-N

Known Names

Flumexadol
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
1
Known Names

Molecular Properties

231.2
MW (Da)
2.37
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Withdrawn
Chirality Racemic

Flags

Withdrawn
USAN Stem -adol

Extended Properties

Molecular Formula C11H12F3NO
MW 231.22
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.83

Drug Warnings

Withdrawn
General Warning
benefit/risk ratio for these products is negative
Country: Germany   Year: 1992

Activity Summary

Kd 1 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 1A
CHEMBL214
Kd 6.6 6.6 251.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 1A Kd = 251.19 nM 6.6 Binding affinity to 5HT1A receptor 19754201

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
19754201 10.1021/jm901096y 5-hydroxytryptamine receptor 1A 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine