Compound Detail
CHEMBL199231
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Basic Information
| ChEMBL ID | CHEMBL199231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJQMKHLCYSDMSY-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
263.4
MW (Da)
1.93
ALogP
3
HBA
1
HBD
39.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.5
Ki 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 7.68 | 7.68 | 21.0 | 1 |
| Histamine H4 receptor CHEMBL3759 | Kd | 7.5 | 7.5 | 31.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 21.0 | nM | 7.68 | Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK... | 16366610 |
| Histamine H4 receptor | Kd | = | 31.62 | nM | 7.5 | Antagonistic activity at human histamine H4 receptor in SK-N-MC cells by inhibit... | 16366610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16366610 | 10.1021/jm0502081 | Histamine H4 receptor | 2 |
Data from ChEMBL 36 via Core Engine