Compound Detail
CHEMBL129257
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Basic Information
| ChEMBL ID | CHEMBL129257 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHMNKKOAWUCDRK-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
244.3
MW (Da)
2.81
ALogP
3
HBA
0
HBD
36.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 7.96 | 7.72 | 11.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 11.0 | nM | 7.96 | Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in... | 19286376 |
| Histamine H3 receptor | Ki | = | 25.0 | nM | 7.6 | Binding affinity to the human histamine H3 receptor | 12954048 |
| Histamine H3 receptor | Ki | = | 25.12 | nM | 7.6 | Mean binding affinity for human H3 receptor | 15771465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12954048 | 10.1021/jm0341047 | Histamine H3 receptor | 1 |
| 12954048 | 10.1021/jm0341047 | Histamine H4 receptor | 1 |
| 15771465 | 10.1021/jm049212n | Histamine H3 receptor | 1 |
| 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