Compound Detail
CHEMBL1243393
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Basic Information
| ChEMBL ID | CHEMBL1243393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQIPYEQUGQGKAM-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
337.5
MW (Da)
5.03
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.66
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.85
Ki 1 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 6.89 | 6.89 | 130.0 | 1 |
| Histamine H3 receptor CHEMBL264 | EC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 130.0 | nM | 6.89 | Displacement of [3H](R)-alpha-methylhistamine from human histamine H3 receptor e... | 20690643 |
| Histamine H3 receptor | EC50 | = | 140.0 | nM | 6.85 | Agonist activity at human histamine H3 receptor expressed in CHO cells assessed ... | 20690643 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20690643 | 10.1021/jm100643t | Histamine H3 receptor | 3 |
Data from ChEMBL 36 via Core Engine