Compound Detail
CHEMBL6393
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Basic Information
| ChEMBL ID | CHEMBL6393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEIDURNZWCNQIM-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
172.2
MW (Da)
1.74
ALogP
2
HBA
1
HBD
17.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.19 | 8.19 | 6.5 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 6.29 | 6.29 | 516.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.2 | 6.09 | 635.0 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 5.32 | 5.32 | 4780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 6.5 | nM | 8.19 | Displacement of [3H]2-BFI from imidazoline receptor I-2 | 15013010 |
| Adrenergic receptor alpha-2 | Ki | = | 516.0 | nM | 6.29 | Displacement of [3H]RX-821002 from alpha-2 adrenergic receptor | 15013010 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 635.0 | nM | 6.2 | Displacement of [3H]DOB from human 5-hydroxytryptamine 2A receptor | 11755343 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 1040.0 | nM | 5.98 | Displacement of [3H]ketanserin from human 5-hydroxytryptamine 2A receptor | 11755343 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 4780.0 | nM | 5.32 | Binding affinity towards human 5-hydroxytryptamine 2C receptor. | 11755343 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11755343 | 10.1016/s0960-894x(01)00713-2 | 5-hydroxytryptamine receptor 2A | 2 |
| 15013010 | 10.1016/j.bmcl.2003.12.033 | Unchecked | 1 |
| 15013010 | 10.1016/j.bmcl.2003.12.033 | Adrenergic receptor alpha-2 | 1 |
| 11755343 | 10.1016/s0960-894x(01)00713-2 | 5-hydroxytryptamine receptor 2C | 1 |
| 11755343 | 10.1016/s0960-894x(01)00713-2 | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
Data from ChEMBL 36 via Core Engine