Compound Detail
CHEMBL1080089
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Basic Information
| ChEMBL ID | CHEMBL1080089 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSHJCGZZSGNBHO-SECBINFHSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
225.3
MW (Da)
1.87
ALogP
3
HBA
2
HBD
67.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| Histamine H3 receptor CHEMBL4124 | Ki | 7.72 | 7.72 | 19.0 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 12.0 | nM | 7.92 | Displacement of [3H]iodoproxyfan from human histamine H3 receptor expressed in C... | 19846299 |
| Histamine H3 receptor | Ki | = | 19.0 | nM | 7.72 | Displacement of [3H]histamine from histamine H3 receptor in rat cerebral cortex | 19846299 |
| Histamine H4 receptor | Ki | = | 290.0 | nM | 6.54 | Displacement of [3H]histamine from human histamine H4 receptor expressed in SF9 ... | 19846299 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19846299 | 10.1016/j.bmcl.2009.10.005 | Histamine H3 receptor | 2 |
| 19846299 | 10.1016/j.bmcl.2009.10.005 | Histamine H4 receptor | 1 |
| 19846299 | 10.1016/j.bmcl.2009.10.005 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine