Compound Detail
CHEMBL319658
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Basic Information
| ChEMBL ID | CHEMBL319658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCDBUDNURLZBED-XPUUQOCRSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
165.2
MW (Da)
0.36
ALogP
3
HBA
2
HBD
63.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.55
Ki 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| Histamine H3 receptor CHEMBL264 | EC50 | 5.55 | 5.55 | 2818.4 | 1 |
| Histamine H4 receptor CHEMBL3759 | EC50 | 4.07 | 4.07 | 85113.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 2511.89 | nM | 5.6 | Histamine H3 receptor competition binding using [3H]Na-methylhistamine | 12825954 |
| Histamine H3 receptor | EC50 | = | 2818.38 | nM | 5.55 | Inhibition of the forskolin-stimulated cAMP production in SK-N-MC cells expressi... | 12825954 |
| Histamine H4 receptor | EC50 | = | 85113.8 | nM | 4.07 | Inhibition of the forskolin-stimulated cAMP production in SK-N-MC cells expressi... | 12825954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12825954 | 10.1021/jm0300025 | Histamine H3 receptor | 3 |
| 12825954 | 10.1021/jm0300025 | Histamine H4 receptor | 3 |
Data from ChEMBL 36 via Core Engine