Compound Detail
CHEMBL100442
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Basic Information
| ChEMBL ID | CHEMBL100442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRIOJRSERKOTIE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
261.8
MW (Da)
2.36
ALogP
2
HBA
1
HBD
22.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL3943 | IC50 | 6.69 | 6.69 | 206.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | IC50 | = | 206.0 | nM | 6.69 | Antihistaminic activity against Histamine H1 receptor was measured on isolated t... | 1977909 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1977909 | 10.1021/jm00173a011 | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine