Compound Detail
CHEMBL5597256
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Basic Information
| ChEMBL ID | CHEMBL5597256 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJFGQBMRYAWEMM-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
2.81
ALogP
6
HBA
1
HBD
63.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.18 | 6.18 | 655.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.04 | 6.04 | 916.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.28 | 5.28 | 5199.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 4.93 | 4.93 | 11630.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 56.7 | mL.min-1.g-1 | Rattus norvegicus |
| T1/2 | 0.6117 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 1.0 | nM | 9.0 | Displacement of [3H]-LSD from human 5-HT6 receptor extracted from HEK293 cell me... | 38936149 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 655.0 | nM | 6.18 | Displacement of [3H]-ketanserin from human 5-HT2A receptor extracted from CHO-K1... | 38936149 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 916.0 | nM | 6.04 | Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor extracted from HEK293 ... | 38936149 |
| D(2) dopamine receptor | Ki | = | 5199.0 | nM | 5.28 | Displacement of [3H]-raclopride from human D2L receptor extracted from HEK293 ce... | 38936149 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 11630.0 | nM | 4.93 | Displacement of [3H]-5-CT from human 5-HT7 receptor extracted from HEK293 cell m... | 38936149 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38936149 | 10.1016/j.ejmech.2024.116615 | ADMET | 3 |
| 38936149 | 10.1016/j.ejmech.2024.116615 | 5-hydroxytryptamine receptor 6 | 1 |
| 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 |
Data from ChEMBL 36 via Core Engine