Compound Detail
CHEMBL2165119
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Basic Information
| ChEMBL ID | CHEMBL2165119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQSRFMXTGAVHIR-UHFFFAOYSA-N |
10
Targets
19
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
463.4
MW (Da)
4.64
ALogP
5
HBA
1
HBD
57.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 14 meas. best 8.96
EC50 5 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 8.96 | 8.96 | 1.1 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 8.92 | 8.81 | 1.2 | 3 |
| D(2) dopamine receptor CHEMBL217 | EC50 | 8.8 | 8.39 | 1.6 | 3 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.13 | 8.13 | 7.4 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.54 | 7.54 | 29.0 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.0 | 7.0 | 99.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.75 | 6.75 | 178.0 | 1 |
| D(1B) dopamine receptor CHEMBL1850 | Ki | 6.29 | 6.29 | 513.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 5.98 | 5.98 | 1040.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | EC50 | 5.75 | 5.75 | 1800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22845053 | 10.1021/jm300603y | D(2) dopamine receptor | 5 |
Data from ChEMBL 36 via Core Engine