Compound Detail
CHEMBL434001
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Basic Information
| ChEMBL ID | CHEMBL434001 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSKGOKHOBPYUEE-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
1.49
ALogP
6
HBA
1
HBD
65.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Ki 1 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | Ki | 5.27 | 5.27 | 5370.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Ki | = | 5370.32 | nM | 5.27 | Displacement of [3H]mepyramine from human histamine H1 receptor expressed in HEK... | 22007643 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17350255 | 10.1016/j.bmcl.2007.02.056 | Unchecked | 1 |
| 17350255 | 10.1016/j.bmcl.2007.02.056 | Escherichia coli | 1 |
| 22007643 | 10.1021/jm2011589 | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine