Compound Detail
CHEMBL200234
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Basic Information
| ChEMBL ID | CHEMBL200234 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZKSXUIOKWQABW-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
201.3
MW (Da)
1.58
ALogP
2
HBA
2
HBD
31.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL213 | Ki | 7.17 | 7.17 | 67.6 | 2 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | Ki | = | 68.0 | nM | 7.17 | Binding affinity to beta1 adrenergic receptor (unknown origin) | 23614494 |
| Beta-1 adrenergic receptor | Ki | = | 67.61 | nM | 7.17 | Displacement of [3H]dihydroalprenolol from human wild type beta1 adrenergic rece... | 23517028 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 2700.0 | nM | 5.57 | Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells | 16183286 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23517028 | 10.1021/jm400140q | Muscarinic acetylcholine receptor M4 | 2 |
| 23517028 | 10.1021/jm400140q | Muscarinic acetylcholine receptor M3 | 2 |
| 23517028 | 10.1021/jm400140q | Muscarinic acetylcholine receptor M2 | 2 |
| 23517028 | 10.1021/jm400140q | Muscarinic acetylcholine receptor M1 | 2 |
| 16183286 | 10.1016/j.bmcl.2005.08.059 | 5-hydroxytryptamine receptor 6 | 1 |
| 23614494 | 10.1021/jm400561w | Beta-1 adrenergic receptor | 1 |
| 23517028 | 10.1021/jm400140q | Beta-1 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine