Compound Detail
CHEMBL94739
FEMOXETINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL94739 |
| Name | FEMOXETINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | OJSFTALXCYKKFQ-YLJYHZDGSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
11
Publications
2
Known Names
Molecular Properties
311.4
MW (Da)
3.81
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
Ki 3 meas. best 8.04
IC50 2 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 8.08 | 7.235 | 8.3 | 2 |
| Sodium-dependent serotonin transporter CHEMBL4642 | Ki | 8.04 | 8.04 | 9.1 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL2370 | Ki | 6.92 | 6.92 | 120.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL2799 | Ki | 5.99 | 5.99 | 1035.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 8.3 | nM | 8.08 | In vitro inhibition of serotonin (5-HT) uptake in crude rat brain synaptosomes | 3257267 |
| Sodium-dependent serotonin transporter | Ki | = | 9.1 | nM | 8.04 | Tested in vitro for serotonin(5-HT) neuronal uptake inhibition | 2213832 |
| Sodium-dependent noradrenaline transporter | Ki | = | 120.0 | nM | 6.92 | Tested in vitro for norepinephrine (NE) neuronal uptake inhibition | 2213832 |
| Rattus norvegicus | IC50 | = | 410.0 | nM | 6.39 | In vitro inhibition of norepinephrine (NE) uptake in crude rat brain synaptosome... | 3257267 |
| Sodium-dependent dopamine transporter | Ki | = | 1035.0 | nM | 5.99 | Tested in vitro for dopamine(DA) neuronal uptake inhibition | 2213832 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15646539 | 10.1016/s0399-8320(04)95062-2 | Unchecked | 11 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | NON-PROTEIN TARGET | 8 |
| 2213832 | 10.1021/jm00172a018 | Mus musculus | 3 |
| 3257267 | 10.1021/jm00396a030 | Rattus norvegicus | 2 |
| 15149651 | 10.1016/j.bmcl.2004.04.018 | Staphylococcus aureus | 1 |
| 2213832 | 10.1021/jm00172a018 | Sodium-dependent dopamine transporter | 1 |
| 2213832 | 10.1021/jm00172a018 | Sodium-dependent noradrenaline transporter | 1 |
| 2213832 | 10.1021/jm00172a018 | Sodium-dependent serotonin transporter | 1 |
| 2213832 | 10.1021/jm00172a018 | Rattus norvegicus | 1 |
| 3257267 | 10.1021/jm00396a030 | Unchecked | 1 |
| 21141825 | 10.1021/jm1011963 | Quinolone resistance protein NorA | 1 |
Data from ChEMBL 36 via Core Engine