Compound Detail
CHEMBL419910
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Basic Information
| ChEMBL ID | CHEMBL419910 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCSPUFATFOILKU-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
345.5
MW (Da)
2.31
ALogP
5
HBA
1
HBD
44.8
PSA (Ų)
0.87
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.8 | 8.8 | 1.6 | 2 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.8 | 7.785 | 15.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.6 | nM | 8.8 | Binding affinity was evaluated by determining in vitro displacement of [3H]8-OH-... | 9022796 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.585 | nM | 8.8 | pKi value against rat 5-hydroxytryptamine 1A receptor. | 9022796 |
| D(2) dopamine receptor | Ki | = | 15.85 | nM | 7.8 | pKi value against rat Dopamine receptor D2. | 9022796 |
| D(2) dopamine receptor | Ki | = | 17.0 | nM | 7.77 | In vitro displacement of [3H]spiperone from Dopamine receptor D2 binding site in... | 9022796 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9022796 | 10.1021/jm960496o | 5-hydroxytryptamine receptor 1A | 2 |
| 9022796 | 10.1021/jm960496o | D(2) dopamine receptor | 2 |
| 9022796 | 10.1021/jm960496o | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine