Compound Detail
CHEMBL137521
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 | CHEMBL137521 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFJVVTCIRLBYRY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
454.4
MW (Da)
7.40
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 7.07 | 7.07 | 85.7 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 5.54 | 5.54 | 2880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 85.7 | nM | 7.07 | In vitro inhibition of [3H]WIN-35 428 binding to dopamine transporter on rat str... | 9016326 |
| Sodium-dependent serotonin transporter | IC50 | = | 2880.0 | nM | 5.54 | In vitro inhibition of [3H]citalopram binding to serotonin transporter on rat st... | 9016326 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9016326 | 10.1021/jm960638e | Sodium-dependent dopamine transporter | 1 |
| 9016326 | 10.1021/jm960638e | Sodium-dependent serotonin transporter | 1 |
| 9016326 | 10.1021/jm960638e | Monoamine transporters; serotonin & dopamine | 1 |
Data from ChEMBL 36 via Core Engine