Compound Detail
CHEMBL3091477
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Basic Information
| ChEMBL ID | CHEMBL3091477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAGCAOBMUHNBAU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
3.92
ALogP
4
HBA
0
HBD
45.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 9.2 | 9.2 | 0.6 | 1 |
| Histamine H3 receptor CHEMBL4124 | Ki | 8.0 | 8.0 | 10.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 3.0 | mL.min-1.g-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 0.631 | nM | 9.2 | Antagonist activity at human histamine H3 receptor expressed in CHOK1 cells asse... | 24269482 |
| Histamine H3 receptor | Ki | = | 10.0 | nM | 8.0 | Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat ce... | 24269482 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24269482 | 10.1016/j.bmcl.2013.09.090 | Rattus norvegicus | 2 |
| 24269482 | 10.1016/j.bmcl.2013.09.090 | Histamine H3 receptor | 2 |
| 24269482 | 10.1016/j.bmcl.2013.09.090 | Liver microsome | 1 |
| 24269482 | 10.1016/j.bmcl.2013.09.090 | Blood | 1 |
| 24269482 | 10.1016/j.bmcl.2013.09.090 | Nucleic Acid | 1 |
Data from ChEMBL 36 via Core Engine