Compound Detail
CHEMBL32953
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Basic Information
| ChEMBL ID | CHEMBL32953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEYYCPOTPKLGNY-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
1.42
ALogP
8
HBA
1
HBD
109.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.89
Kd 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Histamine H1 receptor CHEMBL3943 | Kd | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 13000.0 | nM | 4.89 | Ability to inhibit the release of extravasated dye in the rat peritoneal fluids ... | 6208360 |
| Histamine H1 receptor | Kd | = | 100000.0 | nM | 4.0 | H1-antihistamine activity on guinea pig ileum | 6208360 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6208360 | 10.1021/jm00377a013 | Rattus norvegicus | 2 |
| 6208360 | 10.1021/jm00377a013 | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine