Compound Detail
CHEMBL163012
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Basic Information
| ChEMBL ID | CHEMBL163012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIEKNCZMEBFLFB-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
4.79
ALogP
4
HBA
1
HBD
62.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 8.37 | 8.335 | 4.3 | 2 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.04 | 7.04 | 91.2 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.42 | 6.42 | 380.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 4.266 | nM | 8.37 | Inhibitory constant on 5-hydroxytryptamine 2A receptor of Rat frontal cortex | 11754579 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 5.012 | nM | 8.3 | Tested in vitro for its ability to inhibit [3H]ketanserin binding to 5-hydroxytr... | - |
| D(2) dopamine receptor | Ki | = | 91.2 | nM | 7.04 | Tested in vitro for its ability to inhibit [3H]spiperone binding to Dopamine rec... | - |
| 5-hydroxytryptamine receptor 2C | Ki | = | 380.19 | nM | 6.42 | Inhibitory constant was determined on 5-hydroxytryptamine 2C receptor of Bovine ... | 11754579 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11754579 | 10.1021/jm011014y | 5-hydroxytryptamine receptor 2A | 2 |
| 11754579 | 10.1021/jm011014y | 5-hydroxytryptamine receptor 2B | 1 |
| 11754579 | 10.1021/jm011014y | 5-hydroxytryptamine receptor 2C | 1 |
| 11754579 | 10.1021/jm011014y | Serotonin receptor 2a and 2b (5HT2A and 5HT2B) | 1 |
| 11754579 | 10.1021/jm011014y | Serotonin receptor 2a and 2c (5HT2A and 5HT2C) | 1 |
| - | 10.1016/S0960-894X(97)00131-5 | D(2) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(97)00131-5 | 5-hydroxytryptamine receptor 2A | 1 |
| - | 10.1016/S0960-894X(97)00131-5 | Dopamine D2 receptor and serotonin 2a receptor | 1 |
Data from ChEMBL 36 via Core Engine