Compound Detail
CHEMBL4079031
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Basic Information
| ChEMBL ID | CHEMBL4079031 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQBVUOHGBBXQLG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
4.01
ALogP
4
HBA
1
HBD
39.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.43 | 7.43 | 37.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 37.15 | nM | 7.43 | Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in... | 27662034 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27662034 | 10.1016/j.ejmech.2016.09.026 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine