Compound Detail
CHEMBL274306
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Basic Information
| ChEMBL ID | CHEMBL274306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEYBMRSDSCBGBL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
1.63
ALogP
7
HBA
0
HBD
78.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 380.0 | nM | 6.42 | Affinity for 5-hydroxytryptamine 1A receptor labeled with [3H]8-OH-DPAT radiolig... | 1672156 |
| D(2) dopamine receptor | IC50 | = | 2000.0 | nM | 5.7 | Compound was measured for affinity at dopamine receptor D2 labeled with [3H]spir... | 1672156 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1672156 | 10.1021/jm00107a028 | Mus musculus | 1 |
| 1672156 | 10.1021/jm00107a028 | 5-hydroxytryptamine receptor 1A | 1 |
| 1672156 | 10.1021/jm00107a028 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine