Compound Detail
CHEMBL179747
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Basic Information
| ChEMBL ID | CHEMBL179747 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNZRFOUVNDGUKH-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
253.3
MW (Da)
3.09
ALogP
2
HBA
1
HBD
31.9
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.1
Ki 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | EC50 | 7.1 | 7.1 | 79.4 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 6.4 | 6.4 | 398.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | EC50 | = | 79.43 | nM | 7.1 | Inhibition of cAMP-stimulated beta-galactosidase transcription in SK-N-MC cells ... | 15771452 |
| Histamine H3 receptor | Ki | = | 398.11 | nM | 6.4 | Displacement of [3H]N-R-methylhistamine binding to SK-N-MC cell membranes expres... | 15771452 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771452 | 10.1021/jm049475h | Histamine H3 receptor | 3 |
Data from ChEMBL 36 via Core Engine