Compound Detail
CHEMBL129785
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Basic Information
| ChEMBL ID | CHEMBL129785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBEFILCHUHYSKH-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
364.5
MW (Da)
4.50
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 8.77 | 8.69 | 1.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 1.698 | nM | 8.77 | In vitro binding affinity for human Histamine H3 receptor by displacing N-[3H]-m... | 12930154 |
| Histamine H3 receptor | Ki | = | 1.698 | nM | 8.77 | Binding affinity to human histamine H3 receptor | 24745967 |
| Histamine H3 receptor | Ki | = | 2.951 | nM | 8.53 | Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor ... | 24745967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24745967 | 10.1016/j.bmcl.2014.03.098 | Histamine H3 receptor | 2 |
| 12930154 | 10.1021/jm030185v | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine