Compound Detail
CHEMBL511555
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Basic Information
| ChEMBL ID | CHEMBL511555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTKOQDQPYZTIFY-ZDUSSCGKSA-N |
3
Targets
3
Activities
1
Assay Types
2
PK Parameters
12
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
1.16
ALogP
6
HBA
2
HBD
87.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A CHEMBL2411 | Ki | 8.55 | 8.55 | 2.8 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.35 | 6.35 | 446.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 5.25 | 5.25 | 5692.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 90.0 | mL.min-1.kg-1 | Mus musculus |
| T1/2 | 0.8833 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | Ki | = | 2.8 | nM | 8.55 | Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate | 19425598 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 446.0 | nM | 6.35 | Displacement of [3H]8-OHDPAT from 5HT1A receptor in rat hippocampus | 19425598 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 5692.0 | nM | 5.25 | Displacement of [3H]ketanserin from 5HT2A receptor in rat cortex | 19425598 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19425598 | 10.1021/jm900018b | 5-hydroxytryptamine receptor 3A | 5 |
| 19425598 | 10.1021/jm900018b | Mus musculus | 5 |
| 19425598 | 10.1021/jm900018b | Brain | 4 |
| 19425598 | 10.1021/jm900018b | Rattus norvegicus | 2 |
| 19425598 | 10.1021/jm900018b | 5-hydroxytryptamine receptor 1A | 1 |
| 19425598 | 10.1021/jm900018b | 5-hydroxytryptamine receptor 2A | 1 |
| 19425598 | 10.1021/jm900018b | 5-hydroxytryptamine receptor 4 | 1 |
| 19425598 | 10.1021/jm900018b | Adrenergic receptor alpha-1 | 1 |
| 19425598 | 10.1021/jm900018b | Alpha-2A adrenergic receptor | 1 |
| 19425598 | 10.1021/jm900018b | D(1A) dopamine receptor | 1 |
| 19425598 | 10.1021/jm900018b | D(2) dopamine receptor | 1 |
| 19425598 | 10.1021/jm900018b | Muscarinic acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine