Compound Detail
CHEMBL4446215
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Basic Information
| ChEMBL ID | CHEMBL4446215 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTWXYDJVWZMWOP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
7
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
3.54
ALogP
5
HBA
2
HBD
96.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.6 | 7.6 | 25.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 7.3 | mL.min-1.g-1 | Rattus norvegicus |
| T1/2 | 3.167 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 25.0 | nM | 7.6 | Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells measu... | 31229883 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31229883 | 10.1016/j.ejmech.2019.06.001 | ADMET | 3 |
| 31229883 | 10.1016/j.ejmech.2019.06.001 | 5-hydroxytryptamine receptor 1A | 1 |
| 31229883 | 10.1016/j.ejmech.2019.06.001 | No relevant target | 1 |
| 31229883 | 10.1016/j.ejmech.2019.06.001 | 5-hydroxytryptamine receptor 7 | 1 |
| 31229883 | 10.1016/j.ejmech.2019.06.001 | 5-hydroxytryptamine receptor 6 | 1 |
| 31229883 | 10.1016/j.ejmech.2019.06.001 | D(2) dopamine receptor | 1 |
| 31229883 | 10.1016/j.ejmech.2019.06.001 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine