Compound Detail
CHEMBL130327
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Basic Information
| ChEMBL ID | CHEMBL130327 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUSYTGMUXWLOBH-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
360.5
MW (Da)
5.29
ALogP
2
HBA
1
HBD
28.3
PSA (Ų)
0.58
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.7
Ki 1 meas. best 8.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 8.36 | 8.36 | 4.4 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.7 | 7.7 | 20.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 4.4 | nM | 8.36 | Evaluated for its ability to displace tritiated receptor ligand in rat striatal ... | 1359142 |
| D(2) dopamine receptor | IC50 | = | 20.0 | nM | 7.7 | Evaluated for its ability to displace tritiated receptor ligand in rat striatal ... | 1359142 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 20.0 | nM | 7.7 | Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed i... | 15341483 |
| D(2) dopamine receptor | IC50 | = | 20.0 | nM | 7.7 | Displacement of [3H]spiperone from dopamine D2 receptor of rat striatal membrane... | 15341483 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 20.0 | nM | 7.7 | Inhibition of 5HT1A receptor | 20022748 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1359142 | 10.1021/jm00100a006 | D(2) dopamine receptor | 2 |
| 1359142 | 10.1021/jm00100a006 | Rattus norvegicus | 1 |
| 15341483 | 10.1021/jm040792y | 5-hydroxytryptamine receptor 1A | 1 |
| 15341483 | 10.1021/jm040792y | D(2) dopamine receptor | 1 |
| 20022748 | 10.1016/j.bmcl.2009.12.027 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine