Compound Detail
CHEMBL4862246
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Basic Information
| ChEMBL ID | CHEMBL4862246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLXOXCSZYSTOHF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
411.6
MW (Da)
3.56
ALogP
5
HBA
1
HBD
68.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 3.0 | nM | 8.52 | Displacement of [3H]-5-OH-DPAT from human 5-HT1AR expressed in human HEK293 cell... | 33839253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33839253 | 10.1016/j.bmcl.2021.128028 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine