Compound Detail
CHEMBL1193187
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Basic Information
| ChEMBL ID | CHEMBL1193187 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEHGTZRFVOZVLJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
416.0
MW (Da)
5.63
ALogP
3
HBA
0
HBD
29.0
PSA (Ų)
0.54
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | Ki | 8.12 | 8.12 | 7.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Ki | = | 7.586 | nM | 8.12 | Displacement of [3H]mepyramine from N-terminal HA-tagged H1R (unknown origin) ex... | 31274307 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31274307 | 10.1021/acs.jmedchem.9b00447 | Histamine H1 receptor | 2 |
Data from ChEMBL 36 via Core Engine