Compound Detail
CHEMBL70313
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Basic Information
| ChEMBL ID | CHEMBL70313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMLNZJOXNMNDDS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
393.6
MW (Da)
5.98
ALogP
4
HBA
0
HBD
29.8
PSA (Ų)
0.35
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 5.68 | 5.54 | 2100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 2100.0 | nM | 5.68 | Binding affinity for human histamine H3 receptor | 12392739 |
| Histamine H3 receptor | Ki | = | 4000.0 | nM | 5.4 | Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed... | 16300945 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12392739 | 10.1016/s0960-894x(02)00738-2 | Histamine H3 receptor | 1 |
| 16300945 | 10.1016/j.bmcl.2005.11.003 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine