Compound Detail
CHEMBL73994
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Basic Information
| ChEMBL ID | CHEMBL73994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPRPVYZMIDKJLA-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
588.5
MW (Da)
3.49
ALogP
5
HBA
3
HBD
101.8
PSA (Ų)
0.09
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.65
Ki 1 meas. best 8.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H2 receptor CHEMBL2882 | Ki | 8.58 | 8.58 | 2.6 | 1 |
| Histamine H1 receptor CHEMBL3943 | Kd | 5.65 | 5.65 | 2238.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H2 receptor | Ki | = | 2.63 | nM | 8.58 | Inhibition of [125I]APT binding to H2 receptors in guinea pig cerebral membranes... | 1613748 |
| Histamine H1 receptor | Kd | = | 2238.72 | nM | 5.65 | Histamine H1 receptor antagonistic activity on the isolated guinea pig ileum det... | 1613748 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1613748 | 10.1021/jm00090a013 | Histamine H2 receptor | 5 |
| 1613748 | 10.1021/jm00090a013 | Muscarinic acetylcholine receptor M3 | 1 |
| 1613748 | 10.1021/jm00090a013 | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine