Compound Detail
CHEMBL63299
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Basic Information
| ChEMBL ID | CHEMBL63299 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOTSJBVHVXZHAJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
0.18
ALogP
7
HBA
2
HBD
113.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H2 receptor CHEMBL2882 | Ki | 8.2 | 8.2 | 6.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H2 receptor | Ki | = | 6.31 | nM | 8.2 | In vitro inhibition of Histamine H2 receptor by measuring its ability to block t... | 6121913 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6121913 | 10.1021/jm00345a002 | Unchecked | 3 |
| 6121913 | 10.1021/jm00345a002 | Histamine H2 receptor | 2 |
| 6121913 | 10.1021/jm00345a002 | Canis familiaris | 2 |
| 6121914 | 10.1021/jm00345a003 | Cavia porcellus | 1 |
| 6121914 | 10.1021/jm00345a003 | Rattus norvegicus | 1 |
| 6121914 | 10.1021/jm00345a003 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine