Compound Detail
CHEMBL76002
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Basic Information
| ChEMBL ID | CHEMBL76002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYQFYQSFUHBJIJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
308.9
MW (Da)
2.91
ALogP
2
HBA
2
HBD
56.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL5076 | Ki | 8.1 | 8.1 | 7.9 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 6.12 | 6.12 | 758.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 7.943 | nM | 8.1 | In vitro binding affinity for histamine H3 receptor was determined in guinea-pig... | 10882362 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 758.58 | nM | 6.12 | Sigma-1 binding assay was performed using [3H](+)-pentazocine to label sigma-1 b... | 10882362 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10882362 | 10.1021/jm990952j | Histamine H3 receptor | 2 |
| 10882362 | 10.1021/jm990952j | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine