Compound Detail
CHEMBL10875
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Basic Information
| ChEMBL ID | CHEMBL10875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPXBMXISYUBWDU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
3.15
ALogP
5
HBA
0
HBD
53.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 90.0 | nM | 7.05 | Affinity for 5-hydroxytryptamine 1A receptor labeled with [3H]8-OH-DPAT radiolig... | 1672156 |
| Serotonin 2 (5-HT2) receptor | IC50 | = | 390.0 | nM | 6.41 | Compound was measured for affinity at 5-hydroxytryptamine 2 receptor in rat cort... | 1672156 |
| D(2) dopamine receptor | IC50 | = | 3700.0 | nM | 5.43 | 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 | Serotonin 2 (5-HT2) receptor | 1 |
| 1672156 | 10.1021/jm00107a028 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine