Compound Detail
CHEMBL189384
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Basic Information
| ChEMBL ID | CHEMBL189384 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCWCXCPPQKWURU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
1.95
ALogP
6
HBA
0
HBD
62.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 10.68 | 10.68 | 0.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.12 | 7.12 | 75.3 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 5.44 | 5.44 | 3650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.021 | nM | 10.68 | Inhibition of [3H]8-OH-DPAT binding to Serotonin 5-HT1A receptor from rat brain ... | 16107148 |
| Adrenergic receptor alpha-1 | Ki | = | 75.3 | nM | 7.12 | Inhibition of [3H]prazosin bindign to Adrenergic alpha 1 receptor from rat brain... | 16107148 |
| Adrenergic receptor alpha-2 | Ki | = | 3650.0 | nM | 5.44 | Inhibition of [3H]yohimbine binding to Adrenergic receptor alpha 2 receptor from... | 16107148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16107148 | 10.1021/jm050246k | 5-hydroxytryptamine receptor 1A | 1 |
| 16107148 | 10.1021/jm050246k | 5-hydroxytryptamine receptor 2A | 1 |
| 16107148 | 10.1021/jm050246k | 5-hydroxytryptamine receptor 2C | 1 |
| 16107148 | 10.1021/jm050246k | D(1A) dopamine receptor | 1 |
| 16107148 | 10.1021/jm050246k | D(2) dopamine receptor | 1 |
| 16107148 | 10.1021/jm050246k | Adrenergic receptor alpha-1 | 1 |
| 16107148 | 10.1021/jm050246k | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine