Compound Detail
CHEMBL4862526
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Basic Information
| ChEMBL ID | CHEMBL4862526 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBVPLBRVWOJTCS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
8
PK Parameters
2
Publications
0
Known Names
Molecular Properties
359.8
MW (Da)
4.39
ALogP
3
HBA
1
HBD
45.2
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1F CHEMBL1805 | IC50 | 7.53 | 7.53 | 29.4 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 89.4 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 151.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 180.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 169.52 | nM | Rattus norvegicus |
| Cmax | 99.21 | nM | Rattus norvegicus |
| F | 39.0 | % | Rattus norvegicus |
| T1/2 | 1.6 | hr | Rattus norvegicus |
| T1/2 | 2.41 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1F | IC50 | = | 29.35 | nM | 7.53 | Agonist activity at 5HT1F receptor (unknown origin) expressed in HEK293 cells me... | 34419891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34419891 | 10.1016/j.ejmech.2021.113782 | ADMET | 9 |
| 34419891 | 10.1016/j.ejmech.2021.113782 | 5-hydroxytryptamine receptor 1F | 2 |
Data from ChEMBL 36 via Core Engine