Compound Detail
CHEMBL366081
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Basic Information
| ChEMBL ID | CHEMBL366081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALXBTSBMBMBYHQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
4.47
ALogP
2
HBA
1
HBD
28.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 7.2 | 7.2 | 62.7 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.86 | 6.86 | 139.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 62.7 | nM | 7.2 | Displacement of [3H]Spiperone from human D2S receptor expressed in CHOK1 cell me... | 31357129 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 139.0 | nM | 6.86 | Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cell... | 31357129 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 1100.0 | nM | 5.96 | Binding affinity towards rat 5-HT7 receptor expressed in HEK cells | 15481983 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20485427 | 10.1038/nature09107 | Plasmodium falciparum | 4 |
| 15481983 | 10.1021/jm049743b | 5-hydroxytryptamine receptor 7 | 2 |
| 15481983 | 10.1021/jm049743b | No relevant target | 2 |
| 20485427 | 10.1038/nature09107 | Unchecked | 1 |
| 20485427 | 10.1038/nature09107 | HepG2 | 1 |
| - | 10.6019/CHEMBL3433997 | Solute carrier family 2, facilitated glucose transporter member 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Hexose transporter 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Glucose transporter | 1 |
| 31357129 | 10.1016/j.ejmech.2019.07.050 | D(2) dopamine receptor | 1 |
| 31357129 | 10.1016/j.ejmech.2019.07.050 | 5-hydroxytryptamine receptor 1A | 1 |
| 31357129 | 10.1016/j.ejmech.2019.07.050 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine