Compound Detail
CHEMBL381019
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 | CHEMBL381019 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPEHPUZOPHDONV-NRFANRHFSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
4.73
ALogP
3
HBA
1
HBD
32.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.22 | 7.22 | 60.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.1 | 7.1 | 80.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.21 | 6.21 | 610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 4.0 | nM | 8.4 | Displacement of [3H]spiperone from cloned human dopamine D4.2 receptor in HEK298... | 16168646 |
| D(2) dopamine receptor | Ki | = | 60.0 | nM | 7.22 | Displacement of [3H]spiperone from human dopamine D2(short) receptor in rat pitu... | 16168646 |
| Adrenergic receptor alpha-1 | Ki | = | 80.0 | nM | 7.1 | Displacement of 7-methoxy-[3H]prazosin from adrenergic alpha-1 receptor in rat f... | 16168646 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 610.0 | nM | 6.21 | Displacement of [3H]ketanserin from cloned human 5HT2A receptor in HEK298 cells | 16168646 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16168646 | 10.1016/j.bmcl.2005.08.051 | D(4) dopamine receptor | 1 |
| 16168646 | 10.1016/j.bmcl.2005.08.051 | 5-hydroxytryptamine receptor 2A | 1 |
| 16168646 | 10.1016/j.bmcl.2005.08.051 | D(2) dopamine receptor | 1 |
| 16168646 | 10.1016/j.bmcl.2005.08.051 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine