Compound Detail
CHEMBL13048
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Basic Information
| ChEMBL ID | CHEMBL13048 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTOKSMAKXHBMJM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
3.98
ALogP
4
HBA
1
HBD
49.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | IC50 | = | 1.0 | nM | 9.0 | Inhibition of [3H]ketanserin binding to rat 5-hydroxytryptamine 2 receptors. | 1348090 |
| D(2) dopamine receptor | IC50 | = | 24.0 | nM | 7.62 | Tested for the inhibition of [3H]spiperone binding to dopamine D2 receptor | 1348090 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1348090 | 10.1021/jm00084a014 | D(2) dopamine receptor | 3 |
| 1348090 | 10.1021/jm00084a014 | Rattus norvegicus | 1 |
| 1348090 | 10.1021/jm00084a014 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine