Compound Detail
CHEMBL88994
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Basic Information
| ChEMBL ID | CHEMBL88994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEEMKPJFAQAHOW-AWEZNQCLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
379.4
MW (Da)
3.89
ALogP
4
HBA
0
HBD
46.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.02 | 8.02 | 9.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 9.5 | nM | 8.02 | Binding affinity of 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radi... | 7506312 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 9.5 | nM | 8.02 | Inhibition of [3H]- 8-OH-DPAT binding to 5-HT1A-receptor from rat cerebral corte... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7506312 | 10.1021/jm00078a012 | 5-hydroxytryptamine receptor 1A | 4 |
| 7506312 | 10.1021/jm00078a012 | Rattus norvegicus | 3 |
| - | 10.1016/S0960-894X(01)81038-6 | 5-hydroxytryptamine receptor 1A | 2 |
| 7506312 | 10.1021/jm00078a012 | Dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine