Compound Detail
CHEMBL90053
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Basic Information
| ChEMBL ID | CHEMBL90053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPOMVKJPPZWHRF-OAHLLOKOSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
261.4
MW (Da)
3.67
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.82 | 8.82 | 1.5 | 2 |
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 7.47 | 7.47 | 33.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.5 | nM | 8.82 | Binding affinity of 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radi... | 7506312 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.5 | nM | 8.82 | Inhibition of [3H]- 8-OH-DPAT binding to 5-HT1A-receptor from rat cerebral corte... | - |
| 5-hydroxytryptamine receptor 7 | Ki | = | 33.88 | nM | 7.47 | Binding affinity at rat 5-hydroxytryptamine 7 receptor. | 14640545 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7506312 | 10.1021/jm00078a012 | Rattus norvegicus | 3 |
| 7506312 | 10.1021/jm00078a012 | 5-hydroxytryptamine receptor 1A | 3 |
| 14640545 | 10.1021/jm030826m | 5-hydroxytryptamine receptor 7 | 2 |
| - | 10.1016/S0960-894X(01)81038-6 | 5-hydroxytryptamine receptor 1A | 2 |
Data from ChEMBL 36 via Core Engine