Compound Detail
CHEMBL369693
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 | CHEMBL369693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKWMLGIMMOPFQE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
340.5
MW (Da)
4.78
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 6.53 | 6.53 | 295.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 6.02 | 6.02 | 963.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 295.0 | nM | 6.53 | In vitro binding affinity at dopamine transporter in rat striatum by [3H]WIN-354... | 11300876 |
| Sodium-dependent serotonin transporter | IC50 | = | 963.0 | nM | 6.02 | In vitro binding affinity at serotonin transporter in rat striatum by [3H]- cita... | 11300876 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11300876 | 10.1021/jm000311k | Sodium-dependent dopamine transporter | 1 |
| 11300876 | 10.1021/jm000311k | Sodium-dependent serotonin transporter | 1 |
| 11300876 | 10.1021/jm000311k | Monoamine transporters; serotonin & dopamine | 1 |
Data from ChEMBL 36 via Core Engine