Compound Detail
CHEMBL130255
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
Basic Information
| ChEMBL ID | CHEMBL130255 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HIQMOURJGWXAGS-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
312.8
MW (Da)
3.39
ALogP
3
HBA
1
HBD
35.8
PSA (Ų)
0.88
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 8.82 | 8.67 | 1.5 | 4 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 5.9 | 5.9 | 1250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 1.5 | nM | 8.82 | Ability to displace [3H]WIN-35428 from dopamine transporter in rat caudate putam... | 12213055 |
| Sodium-dependent dopamine transporter | IC50 | = | 1.5 | nM | 8.82 | Inhibition of [3H]WIN-35428 binding to the dopamine transporter in rat brain | 8960553 |
| Sodium-dependent dopamine transporter | IC50 | = | 2.7 | nM | 8.57 | Compound was tested for inhibition of [3H]WIN-35428 binding at the dopamine tran... | 8960553 |
| Sodium-dependent dopamine transporter | IC50 | = | 3.4 | nM | 8.47 | Inhibition of [3H]dopamine uptake at the dopamine transporter in rat striatal ti... | 8960553 |
| Sodium-dependent serotonin transporter | IC50 | = | 1250.0 | nM | 5.9 | Compound was tested for inhibition of [3H]citalopram binding at the serotonin tr... | 8960553 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8960553 | 10.1021/jm960288w | Sodium-dependent dopamine transporter | 4 |
| 12213055 | 10.1021/jm0102093 | Sodium-dependent dopamine transporter | 1 |
| 8960553 | 10.1021/jm960288w | Sodium-dependent serotonin transporter | 1 |
| 8960553 | 10.1021/jm960288w | Norepinephrine transporter | 1 |
| 8960553 | 10.1021/jm960288w | Monoamine transporters; serotonin & dopamine | 1 |
| 8960553 | 10.1021/jm960288w | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine