Compound Detail
CHEMBL2205824
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2205824 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIKZWSUAMNZHAE-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
1.96
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.57 | 7.57 | 26.8 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 6.49 | 6.49 | 327.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 5.86 | 5.86 | 1369.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 5.63 | 5.63 | 2330.0 | 1 |
| Histamine H2 receptor CHEMBL1941 | Ki | 5.01 | 5.01 | 9794.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 26.8 | nM | 7.57 | Displacement of [3H]DTG from rat PC12 cells sigma 2 receptor | 22959245 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 327.0 | nM | 6.49 | Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor | 22959245 |
| Alpha-2C adrenergic receptor | Ki | = | 1369.0 | nM | 5.86 | Binding affinity to alpha2C adrenergic receptor | 22959245 |
| Mu-type opioid receptor | Ki | = | 2330.0 | nM | 5.63 | Binding affinity to mu opioid receptor | 22959245 |
| Histamine H2 receptor | Ki | = | 9794.0 | nM | 5.01 | Binding affinity to Histamine H2 receptor | 22959245 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22959245 | 10.1016/j.bmcl.2012.08.046 | Unchecked | 2 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | Muscarinic acetylcholine receptor M3 | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | Sigma non-opioid intracellular receptor 1 | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | 5-hydroxytryptamine receptor 2C | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | 5-hydroxytryptamine receptor 3A | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | 5-hydroxytryptamine receptor 5A | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | 5-hydroxytryptamine receptor 6 | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | 5-hydroxytryptamine receptor 7 | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | Sodium-dependent serotonin transporter | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | Muscarinic acetylcholine receptor M1 | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | Muscarinic acetylcholine receptor M2 | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | D(3) dopamine receptor | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | Muscarinic acetylcholine receptor M4 | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | Muscarinic acetylcholine receptor M5 | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | Delta-type opioid receptor | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | Kappa-type opioid receptor | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | Alpha-1A adrenergic receptor | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | Alpha-2C adrenergic receptor | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | Histamine H2 receptor | 1 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | Sodium-dependent noradrenaline transporter | 1 |
Data from ChEMBL 36 via Core Engine