Compound Detail
CHEMBL189890
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Basic Information
| ChEMBL ID | CHEMBL189890 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMRSRBAGXHRVKS-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
415.9
MW (Da)
2.59
ALogP
5
HBA
0
HBD
53.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.47 | 8.47 | 3.4 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.85 | 6.85 | 141.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.26 | 6.26 | 547.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 6.13 | 6.13 | 733.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 5.77 | 5.77 | 1710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 3.36 | nM | 8.47 | Inhibition of [3H]8-OH-DPAT binding to Serotonin 5-HT1A receptor from rat brain ... | 16107148 |
| Adrenergic receptor alpha-1 | Ki | = | 141.0 | nM | 6.85 | Inhibition of [3H]prazosin bindign to Adrenergic alpha 1 receptor from rat brain... | 16107148 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 547.0 | nM | 6.26 | Inhibition of 0.4 nM [3H]ketanserin binding to Serotonin 5-HT2A receptor from ra... | 16107148 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 733.0 | nM | 6.13 | Inhibition of 1 nM [3H]mesulergine binding to Serotonin 5-HT2C receptor from rat... | 16107148 |
| Adrenergic receptor alpha-2 | Ki | = | 1710.0 | nM | 5.77 | 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