Compound Detail
CHEMBL3741808
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Basic Information
| ChEMBL ID | CHEMBL3741808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBUNMGJPWDKBFD-UQKRIMTDSA-N |
| Parent Compound | CHEMBL1182155 |
| Active Moiety | CHEMBL1182155 |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
2.51
ALogP
6
HBA
1
HBD
58.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 9.39 | 9.39 | 0.4 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 9.29 | 9.29 | 0.5 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.61 | 8.61 | 2.5 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 8.24 | 8.24 | 5.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 0.4074 | nM | 9.39 | Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor express... | - |
| Alpha-1D adrenergic receptor | Ki | = | 0.5129 | nM | 9.29 | Displacement of [3H]prazosin from human recombinant alpha1D adrenoceptor express... | - |
| 5-hydroxytryptamine receptor 1A | Ki | = | 2.455 | nM | 8.61 | Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed i... | - |
| Alpha-1B adrenergic receptor | Ki | = | 5.754 | nM | 8.24 | Displacement of [3H]prazosin from human recombinant alpha1B adrenoceptor express... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00484A | Alpha-1D adrenergic receptor | 1 |
| - | 10.1039/C4MD00484A | Alpha-1B adrenergic receptor | 1 |
| - | 10.1039/C4MD00484A | Alpha-1A adrenergic receptor | 1 |
| - | 10.1039/C4MD00484A | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine