Compound Detail
CHEMBL1946123
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 | CHEMBL1946123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFPSQBFPUCFLEZ-AIZNXBIQSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
387.9
MW (Da)
5.32
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.68
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL3361 | Ki | 8.03 | 8.03 | 9.4 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 8.01 | 8.01 | 9.7 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.48 | 7.48 | 33.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.99 | 6.99 | 102.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.5 | 6.5 | 317.0 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 5.76 | 5.76 | 1719.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 5.61 | 5.61 | 2434.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 9.4 | nM | 8.03 | Displacement of [3H]-N-methylspiperone from rat dopamine D4 receptor | 22336245 |
| D(3) dopamine receptor | Ki | = | 9.7 | nM | 8.01 | Displacement of [3H]-N-methylspiperone from dopamine D3 receptor expressed in hu... | 22336245 |
| D(2) dopamine receptor | Ki | = | 33.0 | nM | 7.48 | Displacement of [3H]-N-methylspiperone from dopamine D2 receptor expressed in hu... | 22336245 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 102.0 | nM | 6.99 | Displacement of [3H]8-OH-DPAT from 5-HT1A receptor expressed in CHO cells after ... | 22336245 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 317.0 | nM | 6.5 | Binding affinity at 5-HT2A receptor by radioligand displacement assay | 22336245 |
| Histamine H1 receptor | Ki | = | 1719.0 | nM | 5.76 | Displacement of [3H]-Pyrilamine from human histamine H1 receptor by liquid scint... | 22336245 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 2434.0 | nM | 5.61 | Binding affinity at 5-HT2C receptor by radioligand displacement assay | 22336245 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22336245 | 10.1016/j.bmc.2012.01.022 | 5-hydroxytryptamine receptor 1A | 1 |
| 22336245 | 10.1016/j.bmc.2012.01.022 | 5-hydroxytryptamine receptor 2A | 1 |
| 22336245 | 10.1016/j.bmc.2012.01.022 | 5-hydroxytryptamine receptor 2C | 1 |
| 22336245 | 10.1016/j.bmc.2012.01.022 | D(2) dopamine receptor | 1 |
| 22336245 | 10.1016/j.bmc.2012.01.022 | D(3) dopamine receptor | 1 |
| 22336245 | 10.1016/j.bmc.2012.01.022 | D(4) dopamine receptor | 1 |
| 22336245 | 10.1016/j.bmc.2012.01.022 | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine