Compound Detail
CHEMBL2334882
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Basic Information
| ChEMBL ID | CHEMBL2334882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYIGJQLIWSXNQW-KRWDZBQOSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
2.99
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.88
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | Ki | 8.12 | 7.94 | 7.5 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.83 | 6.83 | 146.9 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.32 | 6.32 | 480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 7.5 | nM | 8.12 | Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expresse... | 23332346 |
| D(1A) dopamine receptor | Ki | = | 17.29 | nM | 7.76 | Radioligand Binding Assay: The affinity of compounds to D1 and D2 dopamine recep... | - |
| D(2) dopamine receptor | Ki | = | 146.9 | nM | 6.83 | Radioligand Binding Assay: The affinity of compounds to D1 and D2 dopamine recep... | - |
| 5-hydroxytryptamine receptor 2A | Ki | = | 480.0 | nM | 6.32 | Displacement of [3H]Ketanserin from 5-HT2A receptor (unknown origin) expressed i... | 23332346 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23332346 | 10.1016/j.bmc.2012.12.016 | 5-hydroxytryptamine receptor 1A | 2 |
| 23332346 | 10.1016/j.bmc.2012.12.016 | 5-hydroxytryptamine receptor 2A | 2 |
| 23332346 | 10.1016/j.bmc.2012.12.016 | D(1A) dopamine receptor | 2 |
| 23332346 | 10.1016/j.bmc.2012.12.016 | D(2) dopamine receptor | 2 |
Data from ChEMBL 36 via Core Engine