Compound Detail
CHEMBL1202494
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Basic Information
| ChEMBL ID | CHEMBL1202494 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNZFVODXWHLEOZ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL28717 |
| Active Moiety | CHEMBL28717 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
1.66
ALogP
6
HBA
0
HBD
69.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 14.0 | nM | 7.85 | In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor ... | 2898533 |
| D(2) dopamine receptor | Ki | = | 140.0 | nM | 6.85 | In vitro inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat br... | 2898533 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2898533 | 10.1021/jm00402a023 | D(2) dopamine receptor | 1 |
| 2898533 | 10.1021/jm00402a023 | 5-hydroxytryptamine receptor 1A | 1 |
| 2898533 | 10.1021/jm00402a023 | Rattus norvegicus | 1 |
| 2898533 | 10.1021/jm00402a023 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine