Compound Detail
CHEMBL1078747
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Basic Information
| ChEMBL ID | CHEMBL1078747 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCQTVOPSJIIHAH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
1.03
ALogP
4
HBA
4
HBD
110.7
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H2 receptor CHEMBL1941 | EC50 | 4.92 | 4.92 | 12022.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H2 receptor | EC50 | = | 12022.64 | nM | 4.92 | Agonist activity at human histamine H2 receptor expressed in Sf9 cells coexpress... | 19791743 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19791743 | 10.1021/jm900526h | Histamine H1 receptor | 2 |
| 19791743 | 10.1021/jm900526h | Histamine H2 receptor | 1 |
| 19791743 | 10.1021/jm900526h | Histamine H3 receptor | 1 |
| 19791743 | 10.1021/jm900526h | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine