Compound Detail
CHEMBL513193
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Basic Information
| ChEMBL ID | CHEMBL513193 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGVKMLVLUHANCZ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
334.5
MW (Da)
3.88
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 10.03 | 10.03 | 0.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 0.094 | nM | 10.03 | Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in... | 19286376 |
| Histamine H3 receptor | Ki | = | 0.09333 | nM | 10.03 | Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 ... | 24745967 |
| Histamine H3 receptor | Ki | = | 0.094 | nM | 10.03 | Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 ... | 24745967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24745967 | 10.1016/j.bmcl.2014.03.098 | Histamine H3 receptor | 2 |
| 19286376 | 10.1016/j.bmcl.2009.02.110 | Histamine H3 receptor | 1 |
| 19286376 | 10.1016/j.bmcl.2009.02.110 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine