Compound Detail
CHEMBL2432056
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Basic Information
| ChEMBL ID | CHEMBL2432056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHFKLSFCMAHSDK-LLOIJXFCSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
3.28
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
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 | 27.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 6.59 | 6.59 | 255.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 6.0 | 6.0 | 993.0 | 1 |
| Histamine H2 receptor CHEMBL1941 | Ki | 5.73 | 5.73 | 1868.0 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 5.17 | 5.17 | 6806.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 27.0 | nM | 7.57 | Displacement of [3H]-DTG from sigma-2 receptor in rat PC12 cells | 23981939 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 255.0 | nM | 6.59 | Displacement of [3H](+)-pentazocine from sigma-1 receptor in rat brain homogenat... | 23981939 |
| Alpha-2C adrenergic receptor | Ki | = | 993.0 | nM | 6.0 | Inhibition of adrenergic alpha2C receptor (unknown origin) by PDSP assay | 23981939 |
| Histamine H2 receptor | Ki | = | 1868.0 | nM | 5.73 | Inhibition of histamine H2 receptor (unknown origin) by PDSP assay | 23981939 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 6806.0 | nM | 5.17 | Inhibition of muscarinic M4 receptor (unknown origin) by PDSP assay | 23981939 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23981939 | 10.1016/j.bmc.2013.07.045 | Unchecked | 4 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | 5-hydroxytryptamine receptor 1B | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | Muscarinic acetylcholine receptor M2 | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | D(2) dopamine receptor | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | D(3) dopamine receptor | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | D(4) dopamine receptor | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | GABA-A receptor; agonist GABA site | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | Histamine H1 receptor | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | Histamine H3 receptor | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | Histamine H4 receptor | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | 5-hydroxytryptamine receptor 1A | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | Muscarinic acetylcholine receptor M1 | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | 5-hydroxytryptamine receptor 1D | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | 5-hydroxytryptamine receptor 1E | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | 5-hydroxytryptamine receptor 2A | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | 5-hydroxytryptamine receptor 2B | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | 5-hydroxytryptamine receptor 2C | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | 5-hydroxytryptamine receptor 3A | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | 5-hydroxytryptamine receptor 5A | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine