Compound Detail
CHEMBL114470
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Basic Information
| ChEMBL ID | CHEMBL114470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXDLTMGFYBADHU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
537.3
MW (Da)
7.20
ALogP
4
HBA
0
HBD
29.8
PSA (Ų)
0.23
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 4800.0 | nM | 5.32 | Binding affinity for human histamine H3 receptor | 12392739 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12392739 | 10.1016/s0960-894x(02)00738-2 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine