Compound Detail
CHEMBL5094234
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Basic Information
| ChEMBL ID | CHEMBL5094234 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXOXLJQRLIFVCQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL5096019 |
| Active Moiety | CHEMBL5096019 |
8
Targets
11
Activities
2
Assay Types
10
PK Parameters
19
Publications
0
Known Names
Molecular Properties
289.8
MW (Da)
4.17
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 9 meas. best 8.8
EC50 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.8 | 8.675 | 1.6 | 2 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 8.28 | 8.28 | 5.3 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.28 | 7.28 | 52.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.89 | 6.89 | 130.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | EC50 | 6.75 | 6.745 | 180.0 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.28 | 6.28 | 520.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 6.24 | 6.24 | 580.0 | 1 |
| 5-hydroxytryptamine receptor 5A CHEMBL3426 | Ki | 6.16 | 6.16 | 700.0 | 1 |
| 5-hydroxytryptamine receptor 1E CHEMBL2182 | Ki | 5.58 | 5.58 | 2600.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 32.9 | ng.hr.mL-1 | Mus musculus |
| AUC | 442.3 | ng.hr.mL-1 | Mus musculus |
| CL | 477.7 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 1199.75 | nM | Mus musculus |
| F | 134.4 | % | Mus musculus |
| MRT | 0.7 | hr | Mus musculus |
| MRT | 1.3 | hr | Mus musculus |
| T1/2 | 0.5 | hr | Mus musculus |
| T1/2 | 1.0 | hr | Mus musculus |
| Tmax | 0.4 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine