Compound Detail
CHEMBL211242
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Basic Information
| ChEMBL ID | CHEMBL211242 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXSJZGNGSQXJPJ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
3.43
ALogP
4
HBA
0
HBD
28.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.98
Ki 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 7.1 | 7.1 | 79.4 | 1 |
| Histamine H4 receptor CHEMBL3759 | EC50 | 6.98 | 6.98 | 104.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 79.43 | nM | 7.1 | Displacement of [3H]histamine from human histamine H4 receptor transfected in SK... | 16854056 |
| Histamine H4 receptor | EC50 | = | 104.71 | nM | 6.98 | Activity at human histamine H4 receptor transfected in SK-N-MC cells by cAMP ass... | 16854056 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16854056 | 10.1021/jm051008s | Histamine H4 receptor | 3 |
Data from ChEMBL 36 via Core Engine