Compound Detail
CHEMBL70746
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Basic Information
| ChEMBL ID | CHEMBL70746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHQIGMPUFCCKMC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
729.4
MW (Da)
3.68
ALogP
6
HBA
4
HBD
127.8
PSA (Ų)
0.05
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 7.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H2 receptor CHEMBL2882 | Kd | 7.79 | 7.79 | 16.2 | 1 |
| Histamine H1 receptor CHEMBL3943 | Kd | 5.8 | 5.8 | 1584.9 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | Kd | 5.77 | 5.77 | 1698.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H2 receptor | Kd | = | 16.22 | nM | 7.79 | Histamine H2 receptor antagonistic activity at a concentration of 1 uM on the is... | 1613748 |
| Histamine H1 receptor | Kd | = | 1584.89 | nM | 5.8 | Histamine H1 receptor antagonistic activity on the isolated guinea pig ileum det... | 1613748 |
| Muscarinic acetylcholine receptor M3 | Kd | = | 1698.24 | nM | 5.77 | muscarinic acetylcholine receptor M3-antagonistic activity on the isolated guine... | 1613748 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1613748 | 10.1021/jm00090a013 | Histamine H2 receptor | 3 |
| 1613748 | 10.1021/jm00090a013 | Histamine H1 receptor | 2 |
| 1613748 | 10.1021/jm00090a013 | Muscarinic acetylcholine receptor M3 | 2 |
Data from ChEMBL 36 via Core Engine