Compound Detail
CHEMBL255044
FLUPIRTINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL255044 |
| Name | FLUPIRTINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | JUUFBMODXQKSTD-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
9
PK Parameters
20
Publications
4
Known Names
3
Indications
Molecular Properties
304.3
MW (Da)
2.98
ALogP
5
HBA
3
HBD
89.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Withdrawn |
| Chirality | Achiral |
Indications
Fever Pain Multiple Sclerosis, Relapsing-Remitting
ATC Classification
N02BG07
flupirtine
Level 1: NERVOUS SYSTEM
Level 2: ANALGESICS
Drug Warnings
Withdrawn
hepatotoxicity
Risk of serious liver injury
Withdrawn
hepatotoxicity
Risk of serious liver injury
Activity Summary
IC50 3 meas. best 6.03
EC50 1 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) CHEMBL2221348 | EC50 | 6.25 | 6.25 | 560.0 | 1 |
| Serine hydroxymethyltransferase, mitochondrial CHEMBL4295747 | IC50 | 6.03 | 6.03 | 933.2 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 4.45 | 4.45 | 35500.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 6074.23 | ng.hr.mL-1 | Homo sapiens |
| CL | 1.6 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.3 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.6 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.6 | mL.min-1.kg-1 | Homo sapiens |
| Fu | 0.15 | - | Homo sapiens |
| Fu | 0.15 | - | Homo sapiens |
| MRT | 11.0 | hr | Homo sapiens |
| T1/2 | 8.5 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) | EC50 | = | 560.0 | nM | 6.25 | Agonist activity at human KCNQ2/3 expressed in HEK293 cells by FLIPR based thall... | 31416667 |
| Serine hydroxymethyltransferase, mitochondrial | IC50 | = | 933.25 | nM | 6.03 | Inhibition of His-tagged human recombinant SHMT2 expressed in Escherichia coli B... | - |
| Bile salt export pump | IC50 | = | 35500.0 | nM | 4.45 | Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane ves... | 20829430 |
| Bile salt export pump | IC50 | = | 35500.0 | nM | 4.45 | Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as... | 23956101 |
Literature References
Data from ChEMBL 36 via Core Engine