Compound Detail
CHEMBL2432047
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 | CHEMBL2432047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNPQMMDLXZBMLB-KPCGFGSOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
252.4
MW (Da)
2.32
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.98 | 6.98 | 105.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 6.29 | 6.29 | 508.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 105.0 | nM | 6.98 | Displacement of [3H]-DTG from sigma-2 receptor in rat PC12 cells | 23981939 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 508.0 | nM | 6.29 | Displacement of [3H](+)-pentazocine from sigma-1 receptor in rat brain homogenat... | 23981939 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23981939 | 10.1016/j.bmc.2013.07.045 | Unchecked | 5 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | 5-hydroxytryptamine receptor 7 | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | Sigma non-opioid intracellular receptor 1 | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | Histamine H1 receptor | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | Histamine H2 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 | 5-hydroxytryptamine receptor 1B | 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 5A | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | 5-hydroxytryptamine receptor 6 | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | Muscarinic acetylcholine receptor M1 | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | Muscarinic acetylcholine receptor M2 | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | Muscarinic acetylcholine receptor M3 | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | Muscarinic acetylcholine receptor M4 | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | Muscarinic acetylcholine receptor M5 | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | Delta-type opioid receptor | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | Kappa-type opioid receptor | 1 |
| 23981939 | 10.1016/j.bmc.2013.07.045 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine