Compound Detail
CHEMBL188408
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Basic Information
| ChEMBL ID | CHEMBL188408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQLHFZXPURDXGQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
469.6
MW (Da)
5.90
ALogP
4
HBA
1
HBD
40.7
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 30.0 | nM | 7.52 | Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed i... | 15341483 |
| D(2) dopamine receptor | IC50 | = | 220.0 | nM | 6.66 | Displacement of [3H]spiperone from dopamine D2 receptor of rat striatal membrane... | 15341483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15341483 | 10.1021/jm040792y | 5-hydroxytryptamine receptor 1A | 1 |
| 15341483 | 10.1021/jm040792y | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine