Compound Detail
CHEMBL112912
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Basic Information
| ChEMBL ID | CHEMBL112912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REWDBVXCRPYGDE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
4.57
ALogP
5
HBA
0
HBD
39.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 7.16 | 7.16 | 69.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 69.0 | nM | 7.16 | 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