Compound Detail
CHEMBL13645
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL13645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUZQBDQBBNSXAF-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
270.4
MW (Da)
3.15
ALogP
3
HBA
0
HBD
6.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cerebral cortex alpha adrenergic receptor CHEMBL2111420 | IC50 | 8.52 | 7.78 | 3.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| Adrenergic receptor alpha CHEMBL2094111 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Histamine H2 receptor CHEMBL2882 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cerebral cortex alpha adrenergic receptor | IC50 | = | 3.0 | nM | 8.52 | In vitro binding affinity towards alpha-adrenoceptor of calf cortex membrane Sit... | 6192241 |
| Cerebral cortex alpha adrenergic receptor | IC50 | = | 3.0 | nM | 8.52 | In vitro binding affinity towards alpha-adrenoceptor of calf cortex membrane Sit... | 6192241 |
| Unchecked | IC50 | = | 280.0 | nM | 6.55 | In vitro antihistamine activity, by activation of guinea pig cerebral cortex ade... | 6192241 |
| Cerebral cortex alpha adrenergic receptor | IC50 | = | 500.0 | nM | 6.3 | In vitro binding affinity of alpha-adrenoceptor by interacting with high affinit... | 6192241 |
| Adrenergic receptor alpha | IC50 | = | 1400.0 | nM | 5.85 | In vitro binding affinity towards alpha-adreno ceptor of rat forebrain using [3H... | 6192241 |
| Histamine H2 receptor | IC50 | = | 19000.0 | nM | 4.72 | In vitro antihistamine activity by activation of 4-methylhistamine mediated by H... | 6192241 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6192241 | 10.1021/jm00362a006 | Rattus norvegicus | 7 |
| 6192241 | 10.1021/jm00362a006 | Mus musculus | 6 |
| 6192241 | 10.1021/jm00362a006 | Cerebral cortex alpha adrenergic receptor | 3 |
| 6192241 | 10.1021/jm00362a006 | Adrenergic receptor alpha | 1 |
| 6192241 | 10.1021/jm00362a006 | Unchecked | 1 |
| 6192241 | 10.1021/jm00362a006 | Histamine H2 receptor | 1 |
Data from ChEMBL 36 via Core Engine