Compound Detail
CHEMBL178191
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Basic Information
| ChEMBL ID | CHEMBL178191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQCABOOXQFMEIL-QGZVFWFLSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
4.76
ALogP
4
HBA
0
HBD
36.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 9.28 | 9.28 | 0.5 | 2 |
| Histamine H3 receptor CHEMBL4124 | Ki | 8.34 | 8.34 | 4.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 0.52 | nM | 9.28 | In vitro binding affinity was determined as displacement of [3H]N-R-methylhistam... | 15634000 |
| Histamine H3 receptor | Ki | = | 0.5248 | nM | 9.28 | In vitro binding affinity was determined as displacement of [3H]N-R-methylhistam... | 15634000 |
| Histamine H3 receptor | Ki | = | 4.57 | nM | 8.34 | In vitro binding affinity was determined as displacement of [3H]N-R-methylhistam... | 15634000 |
| Histamine H3 receptor | Ki | = | 4.571 | nM | 8.34 | In vitro binding affinity was determined as displacement of [3H]N-R-methylhistam... | 15634000 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15634000 | 10.1021/jm040118g | Histamine H3 receptor | 4 |
Data from ChEMBL 36 via Core Engine