Compound Detail
CHEMBL4865700
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Basic Information
| ChEMBL ID | CHEMBL4865700 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWNUOOXNMMOWRI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
8
PK Parameters
2
Publications
0
Known Names
Molecular Properties
377.8
MW (Da)
4.53
ALogP
3
HBA
1
HBD
45.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1F CHEMBL1805 | IC50 | 7.63 | 7.63 | 23.4 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 90.5 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 105.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 178.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 191.1 | nM | Rattus norvegicus |
| Cmax | 61.4 | nM | Rattus norvegicus |
| F | 26.2 | % | Rattus norvegicus |
| T1/2 | 1.42 | hr | Rattus norvegicus |
| T1/2 | 1.68 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1F | IC50 | = | 23.41 | nM | 7.63 | 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