Compound Detail
CHEMBL2024523
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 | CHEMBL2024523 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSBQONTVTTYPQN-UAPYVXQJSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
393.0
MW (Da)
3.68
ALogP
3
HBA
1
HBD
38.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL3138 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.27 | 7.27 | 53.4 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.14 | 7.14 | 72.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 4.95 | nM | 8.3 | Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expresse... | 22537450 |
| D(2) dopamine receptor | Ki | = | 53.4 | nM | 7.27 | Displacement of [3H]spiperone from dopamine D2 receptor in rat striatal membrane... | 22537450 |
| Adrenergic receptor alpha-1 | Ki | = | 72.9 | nM | 7.14 | Displacement of [3H]-prazosin from adrenergic alpha-1 receptor in rat cerebral c... | 22537450 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22537450 | 10.1016/j.bmcl.2012.03.104 | D(3) dopamine receptor | 1 |
| 22537450 | 10.1016/j.bmcl.2012.03.104 | D(2) dopamine receptor | 1 |
| 22537450 | 10.1016/j.bmcl.2012.03.104 | Dopamine receptor D2 and D3 | 1 |
| 22537450 | 10.1016/j.bmcl.2012.03.104 | Adrenergic receptor alpha-1 | 1 |
| 22537450 | 10.1016/j.bmcl.2012.03.104 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine