Compound Detail
CHEMBL5597699
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5597699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRMJZHWKWUHPFF-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
2
PK Parameters
10
Publications
0
Known Names
Molecular Properties
367.5
MW (Da)
2.80
ALogP
5
HBA
1
HBD
54.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.57 | 7.57 | 27.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 5.88 | 5.88 | 1316.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.61 | 5.61 | 2473.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.57 | 5.57 | 2699.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 4.8 | 4.8 | 15860.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 109.1 | mL.min-1.g-1 | Rattus norvegicus |
| T1/2 | 0.255 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 27.0 | nM | 7.57 | Displacement of [3H]-LSD from human 5-HT6 receptor extracted from HEK293 cell me... | 38936149 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 1316.0 | nM | 5.88 | Displacement of [3H]-5-CT from human 5-HT7 receptor extracted from HEK293 cell m... | 38936149 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 2473.0 | nM | 5.61 | Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor extracted from HEK293 ... | 38936149 |
| D(2) dopamine receptor | Ki | = | 2699.0 | nM | 5.57 | Displacement of [3H]-raclopride from human D2L receptor extracted from HEK293 ce... | 38936149 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 15860.0 | nM | 4.8 | Displacement of [3H]-ketanserin from human 5-HT2A receptor extracted from CHO-K1... | 38936149 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38936149 | 10.1016/j.ejmech.2024.116615 | 5-hydroxytryptamine receptor 6 | 3 |
| 38936149 | 10.1016/j.ejmech.2024.116615 | ADMET | 3 |
| 38936149 | 10.1016/j.ejmech.2024.116615 | Astrocyte | 3 |
| 38936149 | 10.1016/j.ejmech.2024.116615 | C8-D1A | 2 |
| 38936149 | 10.1016/j.ejmech.2024.116615 | 5-hydroxytryptamine receptor 1A | 1 |
| 38936149 | 10.1016/j.ejmech.2024.116615 | 5-hydroxytryptamine receptor 2A | 1 |
| 38936149 | 10.1016/j.ejmech.2024.116615 | 5-hydroxytryptamine receptor 7 | 1 |
| 38936149 | 10.1016/j.ejmech.2024.116615 | D(2) dopamine receptor | 1 |
| 38936149 | 10.1016/j.ejmech.2024.116615 | SH-SY5Y | 1 |
| 38936149 | 10.1016/j.ejmech.2024.116615 | PC-12 | 1 |
Data from ChEMBL 36 via Core Engine