Compound Detail
CHEMBL102119
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Fc1ccc(C(OCCN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c2ccc(F)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL102119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNPGQYMXSXYOPB-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
578.6
MW (Da)
6.77
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.17
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 8.96 | 8.1667 | 1.1 | 3 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 6.56 | 6.56 | 278.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 1.1 | nM | 8.96 | Compound was tested for binding against Dopamine transporter using radioligand a... | 8941383 |
| Sodium-dependent dopamine transporter | IC50 | = | 7.3 | nM | 8.14 | Binding against Dopamine transporter using radioligand as [3H]GBR 12935 | 8941383 |
| Sodium-dependent dopamine transporter | IC50 | = | 40.0 | nM | 7.4 | Inhibition of dopamine DA reuptake | 8941383 |
| Sodium-dependent serotonin transporter | IC50 | = | 278.0 | nM | 6.56 | Inhibition of [3H]5-HT reuptake at rat serotonin transporter | 8941383 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8941383 | 10.1021/jm960305h | Sodium-dependent dopamine transporter | 3 |
| 8941383 | 10.1021/jm960305h | Sodium-dependent serotonin transporter | 1 |
| 8941383 | 10.1021/jm960305h | Sigma non-opioid intracellular receptor 1 | 1 |
| 8941383 | 10.1021/jm960305h | Monoamine transporters; serotonin & dopamine | 1 |
| 8941383 | 10.1021/jm960305h | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine