Compound Detail
CHEMBL356666
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Basic Information
| ChEMBL ID | CHEMBL356666 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMLMXWQMJKUERA-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
163.2
MW (Da)
1.18
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.23
EC50 2 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | EC50 | 8.5 | 8.5 | 3.2 | 2 |
| Histamine H3 receptor CHEMBL264 | Ki | 8.23 | 8.215 | 5.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | EC50 | = | 3.162 | nM | 8.5 | Inhibitory activity determined by the inhibition of cAMP- stimulated beta-galact... | 14640553 |
| Histamine H3 receptor | EC50 | = | 3.162 | nM | 8.5 | Inhibition of cAMP-stimulated beta-galactosidase transcription in SK-N-MC cells ... | 15771452 |
| Histamine H3 receptor | Ki | = | 5.888 | nM | 8.23 | Inhibitory activity measured by [3H]- N alpha- methyl-histamine binding to membr... | 14640553 |
| Histamine H3 receptor | Ki | = | 6.31 | nM | 8.2 | Displacement of [3H]N-R-methylhistamine binding to SK-N-MC cell membranes expres... | 15771452 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14640553 | 10.1021/jm030905y | Histamine H3 receptor | 4 |
| 14640553 | 10.1021/jm030905y | Histamine H4 receptor | 3 |
| 15771452 | 10.1021/jm049475h | Histamine H3 receptor | 3 |
Data from ChEMBL 36 via Core Engine