Compound Detail
CHEMBL188953
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 | CHEMBL188953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYUZMHHNZPYBFH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
402.6
MW (Da)
5.55
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.53
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 6.65 | 6.65 | 225.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 5.63 | 5.63 | 2360.0 | 1 |
| Norepinephrine transporter CHEMBL304 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 225.0 | nM | 6.65 | Inhibition of [3H]WIN-35428 binding to dopamine transporter of rat striatum | 15456254 |
| Sodium-dependent serotonin transporter | IC50 | = | 2360.0 | nM | 5.63 | Inhibition of [3H]citalopram binding to serotonin transporter of rat cerebral co... | 15456254 |
| Norepinephrine transporter | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of [3H]nisoxetine binding to norepinephrine transporter of rat cerebr... | 15456254 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15456254 | 10.1021/jm049796t | Sodium-dependent dopamine transporter | 1 |
| 15456254 | 10.1021/jm049796t | Sodium-dependent serotonin transporter | 1 |
| 15456254 | 10.1021/jm049796t | Norepinephrine transporter | 1 |
| 15456254 | 10.1021/jm049796t | Monoamine transporters; serotonin & dopamine | 1 |
| 15456254 | 10.1021/jm049796t | Monoamine transporters; Norepininephrine & dopamine | 1 |
Data from ChEMBL 36 via Core Engine