Compound Detail
CHEMBL331005
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Basic Information
| ChEMBL ID | CHEMBL331005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDGILEDXASXMHL-QGZVFWFLSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
4.01
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.76 | 7.76 | 17.5 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.39 | 6.39 | 411.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 5.99 | 5.99 | 1030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 17.5 | nM | 7.76 | In vitro affinity at 5-hydroxytryptamine 1A receptor of rat hippocampus by [3H]8... | 8784447 |
| D(2) dopamine receptor | Ki | = | 411.0 | nM | 6.39 | In vitro affinity at human cloned Dopamine receptor D2A by [3H]-raclopride displ... | 8784447 |
| D(1A) dopamine receptor | Ki | = | 1030.0 | nM | 5.99 | In vitro affinity at Dopamine receptor D1 of rat striatum by [3H]SCH-23390 displ... | 8784447 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8784447 | 10.1021/jm960188q | 5-hydroxytryptamine receptor 1A | 1 |
| 8784447 | 10.1021/jm960188q | D(1A) dopamine receptor | 1 |
| 8784447 | 10.1021/jm960188q | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine