Compound Detail
CHEMBL1783455
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Basic Information
| ChEMBL ID | CHEMBL1783455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNHCRVIMTXXWIF-ZIAGYGMSSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
235.3
MW (Da)
2.40
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.89 | 7.755 | 13.0 | 2 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 6.02 | 6.02 | 955.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 13.0 | nM | 7.89 | Displacement of [3H]-(+)-MK-801 from PCP binding site of NMDA receptor in pig br... | 23013229 |
| Unchecked | Ki | = | 24.0 | nM | 7.62 | Displacement of [3H]-(+)-MK801 from NMDA receptor PCP binding site in pig cortex... | 21444132 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 955.0 | nM | 6.02 | Displacement of [3H]-(+)-pentazocine from sigma 1 receptor PCP binding site in g... | 21444132 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21444132 | 10.1016/j.ejmech.2011.02.070 | Unchecked | 4 |
| 21444132 | 10.1016/j.ejmech.2011.02.070 | Sigma non-opioid intracellular receptor 1 | 1 |
| 23013229 | 10.1021/jm301166m | Sigma non-opioid intracellular receptor 1 | 1 |
| 23013229 | 10.1021/jm301166m | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine