Compound Detail
CHEMBL310087
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Basic Information
| ChEMBL ID | CHEMBL310087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRUKGSUDZFJISC-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
3.11
ALogP
2
HBA
3
HBD
52.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.6
Kd 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL5076 | Kd | 7.6 | 7.6 | 25.1 | 1 |
| Histamine H1 receptor CHEMBL3943 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| Histamine H2 receptor CHEMBL1941 | Ki | 4.9 | 4.9 | 12589.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Kd | = | 25.12 | nM | 7.6 | In vitro inhibitory effect of histamine H3 antagonist on the electrically evoked... | 7783156 |
| Histamine H1 receptor | Ki | = | 2511.89 | nM | 5.6 | Displacement of [3H]mepyramine bound to membranes of CHO cells expressing guinea... | 7783156 |
| Histamine H2 receptor | Ki | = | 12589.25 | nM | 4.9 | Displacement of [125 I]iodoaminopotentidine bound to membranes of CHO cells expr... | 7783156 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7783156 | 10.1021/jm00012a025 | Histamine H3 receptor | 1 |
| 7783156 | 10.1021/jm00012a025 | Histamine H1 receptor | 1 |
| 7783156 | 10.1021/jm00012a025 | Histamine H2 receptor | 1 |
Data from ChEMBL 36 via Core Engine