Compound Detail
CHEMBL501882
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Basic Information
| ChEMBL ID | CHEMBL501882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEKHYAPKOUIALX-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
193.2
MW (Da)
-0.19
ALogP
5
HBA
1
HBD
58.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.13
EC50 2 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 8.13 | 8.13 | 7.4 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 7.86 | 7.86 | 13.8 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 7.51 | 7.51 | 31.0 | 1 |
| Histamine H4 receptor CHEMBL3759 | EC50 | 7.36 | 7.36 | 43.6 | 1 |
| Histamine H4 receptor CHEMBL4468 | EC50 | 6.94 | 6.94 | 114.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 7.41 | nM | 8.13 | Competition Binding Assay: The rat H3 receptor was cloned and expressed in cells... | - |
| Histamine H3 receptor | Ki | = | 13.8 | nM | 7.86 | Competition Binding Assay: The rat H3 receptor was cloned and expressed in cells... | - |
| Histamine H4 receptor | Ki | = | 31.0 | nM | 7.51 | Displacement of [3H]histamine from human H4 receptor expressed in HEK cell membr... | 22153663 |
| Histamine H4 receptor | EC50 | = | 43.65 | nM | 7.36 | Agonist activity at human histamine H4 receptor expressed in HEK293 cells coexpr... | 18811133 |
| Histamine H4 receptor | EC50 | = | 114.82 | nM | 6.94 | Agonist activity at rat histamine H4 receptor expressed in HEK293 cells coexpres... | 18811133 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18811133 | 10.1021/jm8005959 | Histamine H4 receptor | 4 |
| 22153663 | 10.1016/j.bmcl.2011.10.104 | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine