Compound Detail
CHEMBL77774
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Basic Information
| ChEMBL ID | CHEMBL77774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNNMWVRDGFJHAW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
386.3
MW (Da)
2.39
ALogP
2
HBA
3
HBD
51.1
PSA (Ų)
0.30
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL5076 | Ki | 7.27 | 7.27 | 53.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 53.7 | nM | 7.27 | In vitro binding affinity for histamine H3 receptor was determined in guinea-pig... | 10882362 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10882362 | 10.1021/jm990952j | Histamine H3 receptor | 2 |
Data from ChEMBL 36 via Core Engine