Compound Detail
CHEMBL4100315
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Basic Information
| ChEMBL ID | CHEMBL4100315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSHFHSIPMYFXHR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
4.66
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 7.57 | 7.57 | 27.0 | 2 |
| Histamine H3 receptor CHEMBL264 | Ki | 6.93 | 6.93 | 118.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 27.0 | nM | 7.57 | Antagonist activity at H4 receptor in human SH-SY5Y cells assessed as inhibition... | 27718472 |
| Histamine H4 receptor | Ki | = | 27.0 | nM | 7.57 | Antagonist activity at H4 receptor in human SH-SY5Y cells assessed as inhibition... | 27718472 |
| Histamine H3 receptor | Ki | = | 118.0 | nM | 6.93 | Antagonist activity at H3 receptor (unknown origin) | 27718472 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27718472 | 10.1016/j.ejmech.2016.09.074 | Histamine H4 receptor | 3 |
| 27718472 | 10.1016/j.ejmech.2016.09.074 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine