Compound Detail
CHEMBL316960
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Basic Information
| ChEMBL ID | CHEMBL316960 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRMLYAYOHYSGPN-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
2.93
ALogP
5
HBA
1
HBD
54.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.11
Ki 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | EC50 | 9.11 | 9.11 | 0.8 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | EC50 | = | 0.78 | nM | 9.11 | In vitro potency at human 5-hydroxytryptamine 1A receptor in inhibiting forskoli... | 9022796 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.0 | nM | 9.0 | Binding affinity was evaluated by determining in vitro displacement of [3H]8-OH-... | 9022796 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9022796 | 10.1021/jm960496o | 5-hydroxytryptamine receptor 1A | 2 |
Data from ChEMBL 36 via Core Engine