Compound Detail
CHEMBL1160355
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Basic Information
| ChEMBL ID | CHEMBL1160355 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBCCJGHDALNDQW-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
203.3
MW (Da)
2.27
ALogP
2
HBA
1
HBD
33.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.05 | 5.285 | 891.2 | 2 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | IC50 | 5.71 | 5.325 | 1949.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 891.25 | nM | 6.05 | Binding affinity for dopamine receptor D2 was evaluated by the ability to displa... | 2824774 |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 1949.84 | nM | 5.71 | Binding affinity against sigma receptor | 2824774 |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 11481.54 | nM | 4.94 | Binding affinity against sigma receptor | 2824774 |
| D(2) dopamine receptor | IC50 | = | 30199.52 | nM | 4.52 | Binding affinity for dopamine receptor D2 was evaluated by the ability to displa... | 2824774 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2824774 | 10.1021/jm00395a003 | No relevant target | 2 |
| 2824774 | 10.1021/jm00395a003 | Sigma non-opioid intracellular receptor 1 | 2 |
| 2824774 | 10.1021/jm00395a003 | D(2) dopamine receptor | 2 |
| 2824774 | 10.1021/jm00395a003 | Unchecked | 2 |
| 2824774 | 10.1021/jm00395a003 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine