Compound Detail
CHEMBL563342
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Basic Information
| ChEMBL ID | CHEMBL563342 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIRFTMAJUYTWHW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
308.8
MW (Da)
3.45
ALogP
3
HBA
3
HBD
64.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | EC50 | 7.8 | 7.8 | 15.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | EC50 | = | 15.85 | nM | 7.8 | Agonist activity at histamine H4 receptor (unknown origin) expressed in human U2... | 29939744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29939744 | 10.1021/acs.jmedchem.8b00435 | Histamine H4 receptor | 2 |
Data from ChEMBL 36 via Core Engine