Compound Detail
CHEMBL1279
FROVATRIPTAN 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1279 |
| Name | FROVATRIPTAN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | XPSQPHWEGNHMSK-SECBINFHSA-N |
| Therapeutic | ✓ Yes |
3
Targets
5
Activities
1
Assay Types
9
PK Parameters
19
Publications
4
Known Names
2
Indications
Molecular Properties
243.3
MW (Da)
1.34
ALogP
2
HBA
3
HBD
70.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2001 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Indications
Migraine Disorders Pain
ATC Classification
N02CC07
frovatriptan
Level 1: NERVOUS SYSTEM
Level 2: ANALGESICS
Activity Summary
Ki 5 meas. best 8.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 8.36 | 8.175 | 4.4 | 2 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 8.36 | 8.36 | 4.4 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.21 | 7.21 | 62.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 2.5 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.5 | mL.min-1.kg-1 | Homo sapiens |
| CL | 2.5 | mL.min-1.kg-1 | Homo sapiens |
| CL | 2.5 | mL.min-1.kg-1 | Homo sapiens |
| CL | 50.3 | mL.min-1.g-1 | Homo sapiens |
| Fu | 0.85 | - | Homo sapiens |
| Fu | 0.85 | - | Homo sapiens |
| MRT | 22.0 | hr | Homo sapiens |
| T1/2 | 24.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | Ki | = | 4.4 | nM | 8.36 | In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D recep... | 9986723 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 4.4 | nM | 8.36 | Binding affinity to 5-HT1B receptor (unknown origin) assessed as inhibition cons... | 38516587 |
| 5-hydroxytryptamine receptor 1D | Ki | = | 4.4 | nM | 8.36 | Binding affinity to 5-HT1DR (unknown origin) assessed as inhibition constant | 38516587 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 10.3 | nM | 7.99 | In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1B recep... | 9986723 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 62.0 | nM | 7.21 | In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1A recep... | 9986723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 14 |
| 20070106 | 10.1021/jm901371v | Homo sapiens | 8 |
| 18426954 | 10.1124/dmd.108.020479 | ADMET | 4 |
| 33606526 | 10.1021/acs.jmedchem.0c02047 | POU domain, class 2, transcription factor 1 | 3 |
| 19445515 | 10.1021/jm900403j | Homo sapiens | 2 |
| 26948801 | 10.1016/j.drudis.2016.02.015 | Homo sapiens | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 38516587 | 10.1039/d3md00677h | 5-hydroxytryptamine receptor 1D | 1 |
| 9986723 | 10.1021/jm9805945 | 5-hydroxytryptamine receptor 1D | 1 |
| 38516587 | 10.1039/d3md00677h | 5-hydroxytryptamine receptor 1B | 1 |
| 36067397 | 10.1021/acs.jmedchem.2c01075 | POU domain, class 2, transcription factor 1 | 1 |
| 36067397 | 10.1021/acs.jmedchem.2c01075 | POU domain, class 2, transcription factor 2 | 1 |
| 36067397 | 10.1021/acs.jmedchem.2c01075 | Solute carrier family 22 member 3 | 1 |
| 33606526 | 10.1021/acs.jmedchem.0c02047 | Unchecked | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| 18426954 | 10.1124/dmd.108.020479 | NON-PROTEIN TARGET | 1 |
| 20070106 | 10.1021/jm901371v | Plasma | 1 |
| 9986723 | 10.1021/jm9805945 | 5-hydroxytryptamine receptor 1B | 1 |
| 9986723 | 10.1021/jm9805945 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine