Compound Detail
CHEMBL513056
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Basic Information
| ChEMBL ID | CHEMBL513056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOBGKPFWPWGQOI-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
0.95
ALogP
5
HBA
5
HBD
122.3
PSA (Ų)
0.28
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.51
Kd 1 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H2 receptor CHEMBL2882 | EC50 | 7.51 | 7.51 | 30.9 | 1 |
| Histamine H1 receptor CHEMBL3943 | Kd | 5.37 | 5.37 | 4265.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H2 receptor | EC50 | = | 30.9 | nM | 7.51 | Agonist activity at histamine H2 receptor in guinea pig spontaneously beating ri... | 18950149 |
| Histamine H1 receptor | Kd | = | 4265.8 | nM | 5.37 | Antagonist activity at histamine H1 receptor in guinea pig ileum assessed as inh... | 18950149 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18950149 | 10.1021/jm800841w | Histamine H2 receptor | 3 |
| 18950149 | 10.1021/jm800841w | Histamine H1 receptor | 2 |
Data from ChEMBL 36 via Core Engine