Compound Detail
CHEMBL349003
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Basic Information
| ChEMBL ID | CHEMBL349003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSZBRMZCAIJCKB-TZMCWYRMSA-N |
2
Targets
4
Activities
1
Assay Types
2
PK Parameters
9
Publications
0
Known Names
Molecular Properties
258.4
MW (Da)
2.30
ALogP
2
HBA
1
HBD
46.3
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.72 | 8.33 | 1.9 | 3 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.72 | 8.72 | 1.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 46.0 | % | Rattus norvegicus |
| T1/2 | 2.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.9 | nM | 8.72 | Binding affinity against [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor s... | 8340922 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.9 | nM | 8.72 | In vitro displacement of radioactively labeled ligand [3H]8-OH-DPAT from 5-hydro... | 7861420 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.9 | nM | 8.72 | Binding affinity against 5-hydroxytryptamine 1A receptor | - |
| 5-hydroxytryptamine receptor 1A | Ki | = | 28.0 | nM | 7.55 | Binding affinity against [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor s... | 8340922 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8340922 | 10.1021/jm00067a018 | Rattus norvegicus | 28 |
| 8340922 | 10.1021/jm00067a018 | Mus musculus | 6 |
| 7861420 | 10.1021/jm00004a018 | Rattus norvegicus | 5 |
| 8340922 | 10.1021/jm00067a018 | Felis catus | 4 |
| 8340922 | 10.1021/jm00067a018 | 5-hydroxytryptamine receptor 1A | 2 |
| 7861420 | 10.1021/jm00004a018 | 5-hydroxytryptamine receptor 1A | 1 |
| 7861420 | 10.1021/jm00004a018 | D(2) dopamine receptor | 1 |
| 11741489 | 10.1021/jm010145w | Rattus norvegicus | 1 |
| - | 10.1016/S0960-894X(97)00074-7 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine