Compound Detail
CHEMBL3133131
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Basic Information
| ChEMBL ID | CHEMBL3133131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIIFFEQVZOWLBZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
1.39
ALogP
7
HBA
1
HBD
101.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 8.1 | 8.1 | 7.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 7.943 | nM | 8.1 | Displacement of [3H]histamine from wild type human histamine H4 receptor transfe... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C2MD20212C | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine