Compound Detail
CHEMBL82884
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Basic Information
| ChEMBL ID | CHEMBL82884 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJIIUDVZDYITID-IBGZPJMESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
314.5
MW (Da)
3.39
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 9.31 | 9.31 | 0.5 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 6.62 | 6.62 | 240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.49 | nM | 9.31 | Displacement of [3H]8-OH-DPAT from rat striata 5-hydroxytryptamine 1A receptor | 10743959 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 240.0 | nM | 6.62 | Binding affinity for 5-hydroxytryptamine 2 receptor from striata of male Wistar ... | 10743959 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10743959 | 10.1016/s0960-894x(00)00030-5 | 5-hydroxytryptamine receptor 1A | 1 |
| 10743959 | 10.1016/s0960-894x(00)00030-5 | D(2) dopamine receptor | 1 |
| 10743959 | 10.1016/s0960-894x(00)00030-5 | Serotonin 2 (5-HT2) receptor | 1 |
| 11078200 | 10.1016/s0960-894x(00)00492-3 | Serotonin 2 (5-HT2) receptor | 1 |
| 11078200 | 10.1016/s0960-894x(00)00492-3 | 5-hydroxytryptamine receptor 1A | 1 |
| 11078200 | 10.1016/s0960-894x(00)00492-3 | Adrenergic receptor alpha-1 | 1 |
| 11078200 | 10.1016/s0960-894x(00)00492-3 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine