Compound Detail
CHEMBL266221
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Basic Information
| ChEMBL ID | CHEMBL266221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTYXKFHKVREUMR-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
170.2
MW (Da)
2.14
ALogP
1
HBA
1
HBD
28.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.14 | 8.14 | 7.3 | 2 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 6.16 | 6.16 | 700.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 5.67 | 5.63 | 2150.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 7.3 | nM | 8.14 | Binding affinity at rat imidazoline receptor I-2 | 15013009 |
| Unchecked | Ki | = | 7.3 | nM | 8.14 | Displacement of [3H]2-BFI from imidazoline receptor I-2 | 15013010 |
| Adrenergic receptor alpha-2 | Ki | = | 700.0 | nM | 6.16 | Binding affinity at alpha-2 adrenergic receptors of rat. | 15013009 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 1100.0 | nM | 5.96 | Binding affinity towards cloned rat 5-hydroxytryptamine 2C receptor from fundus ... | 14643338 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 2150.0 | nM | 5.67 | Binding affinity towards cloned rat Inhibition of binding towards 5-hydroxytrypt... | 14643338 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 2560.0 | nM | 5.59 | Binding affinity towards cloned rat Inhibition of binding towards 5-hydroxytrypt... | 14643338 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14643338 | 10.1016/j.bmcl.2003.09.027 | 5-hydroxytryptamine receptor 2A | 2 |
| 15013009 | 10.1016/j.bmcl.2003.11.078 | Unchecked | 1 |
| 15013009 | 10.1016/j.bmcl.2003.11.078 | Adrenergic receptor alpha-2 | 1 |
| 15013010 | 10.1016/j.bmcl.2003.12.033 | Unchecked | 1 |
| 14643338 | 10.1016/j.bmcl.2003.09.027 | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine