Compound Detail
CHEMBL493720
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Basic Information
| ChEMBL ID | CHEMBL493720 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYUPHZVTHXGIJI-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
303.8
MW (Da)
2.13
ALogP
5
HBA
1
HBD
58.3
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.7
EC50 1 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 8.7 | 7.884 | 2.0 | 5 |
| Histamine H4 receptor CHEMBL4468 | EC50 | 7.43 | 7.43 | 37.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 1.995 | nM | 8.7 | Displacement of [3H]histamine from wild type human histamine H4 receptor transfe... | - |
| Histamine H4 receptor | Ki | = | 3.162 | nM | 8.5 | Displacement of [3H]histamine displacement from human recombinant histamine H4 r... | 23668417 |
| Histamine H4 receptor | Ki | = | 4.8 | nM | 8.32 | Binding affinity to histamine H4 receptor (unknown origin) assessed as inhibitio... | 36731273 |
| Histamine H4 receptor | EC50 | = | 37.15 | nM | 7.43 | Agonist activity at rat histamine H4 receptor expressed in HEK293 cells coexpres... | 18811133 |
| Histamine H4 receptor | Ki | = | 63.1 | nM | 7.2 | Displacement of [3H]histamine from human histamine H4 receptor L175'5.39V mutant... | - |
| Histamine H4 receptor | Ki | = | 199.53 | nM | 6.7 | Displacement of [3H]histamine from human histamine H4 receptor E182'5.46Q mutant... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18811133 | 10.1021/jm8005959 | Histamine H4 receptor | 3 |
| - | 10.1039/C2MD20212C | Histamine H4 receptor | 3 |
| 23668417 | 10.1021/jm301886t | Histamine H4 receptor | 1 |
| 36731273 | 10.1016/j.ejmech.2023.115151 | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine