Compound Detail
CHEMBL1915532
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Basic Information
| ChEMBL ID | CHEMBL1915532 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJSZEXPISQGVRD-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
373.5
MW (Da)
3.10
ALogP
7
HBA
3
HBD
86.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 5.68 | 5.68 | 2110.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 2110.0 | nM | 5.68 | Displacement of [3H]-histamine from full length human H4R expressed in HEK293 ce... | 21920751 |
| Histamine H4 receptor | Ki | = | 2110.0 | nM | 5.68 | Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO ... | 21955944 |
| Histamine H4 receptor | Ki | = | 2110.0 | nM | 5.68 | Binding affinity to human histamine H4 receptor | 25993395 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21920751 | 10.1016/j.bmcl.2011.07.125 | Histamine H4 receptor | 2 |
| 21955944 | 10.1016/j.bmcl.2011.07.114 | Histamine H4 receptor | 2 |
| 25993395 | 10.1021/acs.jmedchem.5b00516 | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine