Compound Detail
CHEMBL194548
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Basic Information
| ChEMBL ID | CHEMBL194548 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBIHKNJGZIBWIY-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
324.5
MW (Da)
4.55
ALogP
3
HBA
1
HBD
24.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.57
Ki 1 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Kd | 8.57 | 8.57 | 2.7 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 8.26 | 8.26 | 5.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Kd | = | 2.692 | nM | 8.57 | Mean functional activity against human H3 receptor | 15771465 |
| Histamine H3 receptor | Ki | = | 5.495 | nM | 8.26 | Mean binding affinity for human H3 receptor | 15771465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771465 | 10.1021/jm049212n | Histamine H3 receptor | 2 |
Data from ChEMBL 36 via Core Engine