Compound Detail
CHEMBL108649
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Basic Information
| ChEMBL ID | CHEMBL108649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCOQWVUQXNRKKP-SCZZXKLOSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
0.28
ALogP
4
HBA
3
HBD
98.1
PSA (Ų)
0.31
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.1
EC50 2 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | EC50 | 5.12 | 5.11 | 7585.8 | 2 |
| Histamine H3 receptor CHEMBL264 | Ki | 5.1 | 5.095 | 7943.3 | 2 |
| Histamine H4 receptor CHEMBL3759 | Ki | 5.1 | 5.095 | 7943.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | EC50 | = | 7585.78 | nM | 5.12 | Inhibition of the forskolin-stimulated cAMP production in SK-N-MC cells expressi... | 12825954 |
| Histamine H4 receptor | EC50 | = | 7943.28 | nM | 5.1 | Agonist activity at human histamine H4 receptor expressed in human SK-N-MC cells... | 21044842 |
| Histamine H4 receptor | Ki | = | 7943.28 | nM | 5.1 | Displacement of [3H]-histamine from human histamine H4 receptor expressed in Sf9... | 21044842 |
| Histamine H3 receptor | Ki | = | 7943.28 | nM | 5.1 | Displacement of [3H]Nalpha-methylhistamine from human histamine H3 receptor expr... | 21044842 |
| Histamine H3 receptor | Ki | = | 8128.31 | nM | 5.09 | Histamine H3 receptor competition binding using [3H]Na-methylhistamine | 12825954 |
| Histamine H4 receptor | Ki | = | 8128.31 | nM | 5.09 | Histamine H4 receptor competition binding using [3H]Na-methylhistamine | 12825954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12825954 | 10.1021/jm0300025 | Histamine H3 receptor | 3 |
| 12825954 | 10.1021/jm0300025 | Histamine H4 receptor | 3 |
| 21044842 | 10.1016/j.bmcl.2010.10.041 | Histamine H4 receptor | 3 |
| 21044842 | 10.1016/j.bmcl.2010.10.041 | Histamine H3 receptor | 2 |
Data from ChEMBL 36 via Core Engine