Compound Detail
CHEMBL126904
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Basic Information
| ChEMBL ID | CHEMBL126904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWINJKNPCPHOEX-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
302.5
MW (Da)
3.54
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.05
Ki 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Kd | 8.05 | 8.05 | 8.9 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 8.05 | 8.05 | 8.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Kd | = | 8.913 | nM | 8.05 | Histamine-induced inhibition of forskolin- stimulated cAMP accumulation in SK-N-... | 12930154 |
| Histamine H3 receptor | Ki | = | 8.913 | nM | 8.05 | In vitro binding affinity for human Histamine H3 receptor by displacing N-[3H]-m... | 12930154 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12930154 | 10.1021/jm030185v | Histamine H3 receptor | 2 |
Data from ChEMBL 36 via Core Engine