Compound Detail
CHEMBL1254743
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Basic Information
| ChEMBL ID | CHEMBL1254743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYVYZEAKTYROJI-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
4.23
ALogP
7
HBA
1
HBD
92.1
PSA (Ų)
0.24
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 9.29 | 9.29 | 0.5 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 8.95 | 8.95 | 1.1 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.8 | 7.8 | 15.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | Ki | = | 0.5129 | nM | 9.29 | Displacement of [3H]prazosin from human adrenergic Alpha-1D expressed in CHO cel... | 20801662 |
| Alpha-1A adrenergic receptor | Ki | = | 1.122 | nM | 8.95 | Displacement of [3H]prazosin from human adrenergic alpha1A expressed in CHO cell... | 20801662 |
| Alpha-1B adrenergic receptor | Ki | = | 5.012 | nM | 8.3 | Displacement of [3H]prazosin from human adrenergic Alpha-1B expressed in CHO cel... | 20801662 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 15.85 | nM | 7.8 | Displacement of [3H]8-OH-DPAT from human adrenergic 5HT1A expressed in human HeL... | 20801662 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20801662 | 10.1016/j.bmc.2010.08.002 | Alpha-1A adrenergic receptor | 2 |
| 20801662 | 10.1016/j.bmc.2010.08.002 | Alpha-1B adrenergic receptor | 2 |
| 20801662 | 10.1016/j.bmc.2010.08.002 | Alpha-1D adrenergic receptor | 2 |
| 20801662 | 10.1016/j.bmc.2010.08.002 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine