Compound Detail
CHEMBL1254915
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1254915 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAEDPQXLBJMTGG-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
4.32
ALogP
5
HBA
1
HBD
49.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 8.5 | 8.5 | 3.2 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 7.7 | 7.7 | 19.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 2.512 | nM | 8.6 | Displacement of [3H]8-OH-DPAT from human adrenergic 5HT1A expressed in human HeL... | 20801662 |
| Alpha-1A adrenergic receptor | Ki | = | 3.162 | nM | 8.5 | Displacement of [3H]prazosin from human adrenergic alpha1A expressed in CHO cell... | 20801662 |
| Alpha-1D adrenergic receptor | Ki | = | 3.981 | nM | 8.4 | Displacement of [3H]prazosin from human adrenergic Alpha-1D expressed in CHO cel... | 20801662 |
| Alpha-1B adrenergic receptor | Ki | = | 19.95 | nM | 7.7 | Displacement of [3H]prazosin from human adrenergic Alpha-1B expressed in CHO cel... | 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