Compound Detail
CHEMBL1259216
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 | CHEMBL1259216 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYGJNGJRTPHPPA-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
392.5
MW (Da)
2.87
ALogP
7
HBA
0
HBD
50.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1B adrenergic receptor CHEMBL315 | Ki | 9.82 | 9.82 | 0.1 | 1 |
| Alpha-1A adrenergic receptor CHEMBL4892 | Ki | 9.77 | 9.77 | 0.2 | 1 |
| Alpha-1B adrenergic receptor CHEMBL3122 | Ki | 9.46 | 9.46 | 0.3 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 9.36 | 9.0 | 0.4 | 2 |
| Alpha-1D adrenergic receptor CHEMBL326 | Ki | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1B adrenergic receptor | Ki | = | 0.15 | nM | 9.82 | Displacement of [3H]prozosin from alpha-1b receptor in rat cerebral cortex | 20857909 |
| Alpha-1A adrenergic receptor | Ki | = | 0.17 | nM | 9.77 | Displacement of [3H]prozosin from bovine cloned Alpha-1A receptor expressed in B... | 20857909 |
| Alpha-1B adrenergic receptor | Ki | = | 0.35 | nM | 9.46 | Displacement of [3H]prozosin from hamster cloned alpha-1b receptor | 20857909 |
| D(2) dopamine receptor | Ki | = | 0.44 | nM | 9.36 | Displacement of [3H]spiperone from human cloned dopamine D2 receptor expressed i... | 20857909 |
| Alpha-1D adrenergic receptor | Ki | = | 1.0 | nM | 9.0 | Displacement of [3H]prozosin from rat cloned alpha1d receptor | 20857909 |
| D(2) dopamine receptor | Ki | = | 2.3 | nM | 8.64 | Displacement of [3H]prozosin from human cloned dopamine D2 receptor expressed in... | 20857909 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20857909 | 10.1021/jm100652h | Alpha-1B adrenergic receptor | 2 |
| 20857909 | 10.1021/jm100652h | D(2) dopamine receptor | 2 |
| 20857909 | 10.1021/jm100652h | Alpha-1A adrenergic receptor | 1 |
| 20857909 | 10.1021/jm100652h | Alpha-1D adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine