Compound Detail
CHEMBL358028
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Basic Information
| ChEMBL ID | CHEMBL358028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNDJCSXUAYKMAA-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
151.2
MW (Da)
0.88
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.06
EC50 1 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 6.06 | 6.06 | 871.0 | 1 |
| Histamine H3 receptor CHEMBL264 | EC50 | 5.74 | 5.74 | 1819.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 870.96 | nM | 6.06 | Inhibitory activity measured by [3H]- N alpha- methyl-histamine binding to membr... | 14640553 |
| Histamine H3 receptor | EC50 | = | 1819.7 | nM | 5.74 | Inhibitory activity determined by the inhibition of cAMP- stimulated beta-galact... | 14640553 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14640553 | 10.1021/jm030905y | Histamine H3 receptor | 4 |
| 14640553 | 10.1021/jm030905y | Histamine H4 receptor | 3 |
Data from ChEMBL 36 via Core Engine