Compound Detail
CHEMBL440730
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Basic Information
| ChEMBL ID | CHEMBL440730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGGBVTGACIFVRB-SSDOTTSWSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
151.2
MW (Da)
0.56
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.68
Ki 2 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | EC50 | 8.68 | 8.68 | 2.1 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 8.28 | 8.28 | 5.2 | 1 |
| Histamine H4 receptor CHEMBL3759 | EC50 | 6.38 | 6.38 | 416.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | EC50 | = | 2.089 | nM | 8.68 | Inhibitory activity determined by the inhibition of cAMP- stimulated beta-galact... | 14640553 |
| Histamine H3 receptor | Ki | = | 5.248 | nM | 8.28 | Inhibitory activity measured by [3H]- N alpha- methyl-histamine binding to membr... | 14640553 |
| Histamine H4 receptor | EC50 | = | 416.87 | nM | 6.38 | 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