Compound Detail
CHEMBL189704
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 | CHEMBL189704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYRQRDDPHJEJCJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
4.29
ALogP
5
HBA
1
HBD
76.3
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 10.0 | 10.0 | 0.1 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.13 | 6.13 | 740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 0.1 | nM | 10.0 | Inhibition of 8-OH DPAT binding to rat hydroxytryptamine 1A receptor expressed i... | 15341484 |
| Sodium-dependent serotonin transporter | IC50 | = | 0.7 | nM | 9.15 | Inhibition of [3H]5-HT re-uptake in rat synaptosomes | 15341484 |
| D(2) dopamine receptor | IC50 | = | 740.0 | nM | 6.13 | Displacement of [3H]spiperone from dopamine D2 receptor of rat striatal membrane... | 15341484 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15341484 | 10.1021/jm040793q | Rattus norvegicus | 2 |
| 15341484 | 10.1021/jm040793q | 5-hydroxytryptamine receptor 1A | 1 |
| 15341484 | 10.1021/jm040793q | Sodium-dependent serotonin transporter | 1 |
| 15341484 | 10.1021/jm040793q | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine