Compound Detail
CHEMBL2112371
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Basic Information
| ChEMBL ID | CHEMBL2112371 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUKTXHCGSFMYLO-SNRMKQJTSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
279.4
MW (Da)
3.42
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | Ki | 8.46 | 8.46 | 3.5 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.8 | 7.8 | 15.9 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.13 | 7.13 | 74.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Ki | = | 3.5 | nM | 8.46 | Ability to displace [3H]pyrilamine from human cloned histamine H1 receptor expre... | 15125929 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 15.9 | nM | 7.8 | Ability to displace [3H]- mesulergine from human cloned 5-hydroxytryptamine 2C r... | 15125929 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 74.1 | nM | 7.13 | Ability to displace [125I]R91150 from human cloned 5-hydroxytryptamine 2A recept... | 15125929 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15125929 | 10.1016/j.bmcl.2004.03.069 | 5-hydroxytryptamine receptor 2A | 1 |
| 15125929 | 10.1016/j.bmcl.2004.03.069 | 5-hydroxytryptamine receptor 2C | 1 |
| 15125929 | 10.1016/j.bmcl.2004.03.069 | Histamine H1 receptor | 1 |
| 15125929 | 10.1016/j.bmcl.2004.03.069 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine