Compound Detail
CHEMBL231068
FLIBANSERIN 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL231068 |
| Name | FLIBANSERIN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | PPRRDFIXUUSXRA-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
20
Publications
9
Known Names
3
Indications
1
Mechanisms
Molecular Properties
390.4
MW (Da)
3.17
ALogP
4
HBA
1
HBD
44.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2015 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Unknown | - | - | ✓ | ✓ |
Indications
Sexual Dysfunctions, Psychological Sexual Dysfunctions, Psychological Prostatic Neoplasms
ATC Classification
G02CX02
flibanserin
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: OTHER GYNECOLOGICALS
Drug Warnings
Black Box Warning
General Warning
Activity Summary
Ki 2 meas. best 7.93
EC50 1 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.93 | 7.93 | 11.8 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.93 | 7.93 | 11.8 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | EC50 | 6.2 | 6.2 | 631.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 11.75 | nM | 7.93 | Binding affinity to 5HT1A receptor in rat cortex membrane | 17803293 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 11.8 | nM | 7.93 | Displacement of [3H]-5-OH-DPAT from human 5-HT1AR in human brain tissue by radio... | 35367707 |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 630.96 | nM | 6.2 | Agonist activity at human 5HT1A receptor expressed in C6 cells assessed as stimu... | 17803293 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 17803293 | 10.1021/jm070714l | Rattus norvegicus | 3 |
| 17803293 | 10.1021/jm070714l | 5-hydroxytryptamine receptor 1A | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Thromboxane A2 receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Prostaglandin G/H synthase 1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| 35367707 | 10.1016/j.ejmech.2022.114319 | 5-hydroxytryptamine receptor 1A | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M1 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent dopamine transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Bile salt export pump | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Estrogen receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Acetylcholinesterase | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent noradrenaline transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Mu-type opioid receptor | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine