Compound Detail
CHEMBL266084
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Basic Information
| ChEMBL ID | CHEMBL266084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYMDEOQLJUUNOF-UHFFFAOYSA-N |
4
Targets
9
Activities
3
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
202.3
MW (Da)
1.82
ALogP
2
HBA
2
HBD
37.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 5.85
Kd 2 meas.
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 5.85 | 5.585 | 1400.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 5.79 | 5.79 | 1640.0 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 5.66 | 5.66 | 2190.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 5.11 | 5.11 | 7830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 1400.0 | nM | 5.85 | Binding affinity for rat 5-hydroxytryptamine 2A receptor using [3H]DOB | 14643338 |
| Unchecked | Ki | = | 1640.0 | nM | 5.79 | Binding affinity at rat imidazoline receptor I-2 | 15013009 |
| Unchecked | Ki | = | 1640.0 | nM | 5.79 | Displacement of [3H]2-BFI from imidazoline receptor I-2 | 15013010 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 2190.0 | nM | 5.66 | Binding affinity towards cloned rat 5-hydroxytryptamine 2C receptor from fundus ... | 14643338 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 4780.0 | nM | 5.32 | Binding affinity towards cloned rat 5-hydroxytryptamine 2A receptor by [3H]ketan... | 14643338 |
| Adrenergic receptor alpha-2 | Ki | = | 7830.0 | nM | 5.11 | Binding affinity at alpha-2 adrenergic receptors of rat. | 15013009 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22425563 | 10.1016/j.bmcl.2012.02.057 | Acetylcholinesterase | 4 |
| 14643338 | 10.1016/j.bmcl.2003.09.027 | 5-hydroxytryptamine receptor 2A | 2 |
| 27499369 | 10.1016/j.bmc.2016.07.055 | Dihydroorotase | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 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 |
| 16945529 | 10.1016/j.bmcl.2006.08.067 | Cholinesterase | 1 |
| 16945529 | 10.1016/j.bmcl.2006.08.067 | Acetylcholinesterase | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine