Compound Detail
CHEMBL193999
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Basic Information
| ChEMBL ID | CHEMBL193999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTEUYQOEFVBSLN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
449.9
MW (Da)
3.16
ALogP
5
HBA
2
HBD
77.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 8.97 | 8.97 | 1.1 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.46 | 7.46 | 35.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 1.08 | nM | 8.97 | Inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor from rat corte... | 15801833 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 35.01 | nM | 7.46 | Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor from rat ... | 15801833 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15801833 | 10.1021/jm040870h | Adrenergic receptor alpha-1 | 1 |
| 15801833 | 10.1021/jm040870h | 5-hydroxytryptamine receptor 1A | 1 |
| 15801833 | 10.1021/jm040870h | D(1A) dopamine receptor | 1 |
| 15801833 | 10.1021/jm040870h | D(2) dopamine receptor | 1 |
| 15801833 | 10.1021/jm040870h | Serotonin 1a (5-HT1a) receptor/Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine