Compound Detail
CHEMBL3236558
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Basic Information
| ChEMBL ID | CHEMBL3236558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMQGRIJTXNTELD-UHFFFAOYSA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
233.3
MW (Da)
0.86
ALogP
5
HBA
2
HBD
81.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.89
Kd 1 meas. best 7.6
Ki 1 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 8.26 | 8.26 | 5.5 | 1 |
| Histamine H4 receptor CHEMBL3759 | Kd | 7.6 | 7.6 | 25.1 | 1 |
| Histamine H4 receptor CHEMBL3759 | EC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 5.5 | nM | 8.26 | Displacement of [3H]histamine from human recombinant histamine H4 receptor expre... | 24495018 |
| Histamine H4 receptor | Kd | = | 25.12 | nM | 7.6 | Antagonist activity at human histamine H4 receptor expressed in SK-N-MC cells as... | 24495018 |
| Histamine H4 receptor | EC50 | = | 1300.0 | nM | 5.89 | Agonist activity at human H4 receptor | 24495018 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24495018 | 10.1021/jm401727m | Histamine H4 receptor | 3 |
Data from ChEMBL 36 via Core Engine