Compound Detail
CHEMBL186108
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Basic Information
| ChEMBL ID | CHEMBL186108 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKCPCDUXKIKLCG-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
369.2
MW (Da)
2.16
ALogP
2
HBA
1
HBD
39.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.2
EC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 7.2 | 7.2 | 63.1 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| Histamine H3 receptor CHEMBL264 | EC50 | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 63.1 | nM | 7.2 | Binding affinity towards human histamine H4 receptor was determined by [3H]Na-me... | 15454206 |
| Histamine H3 receptor | Ki | = | 2511.89 | nM | 5.6 | Binding affinity towards human histamine H3 receptor was determined by [3H]Na-me... | 15454206 |
| Histamine H3 receptor | EC50 | = | 3162.28 | nM | 5.5 | Effective concentration required against human histamine H3 receptor was determi... | 15454206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15454206 | 10.1016/j.bmcl.2004.08.035 | Histamine H3 receptor | 3 |
| 15454206 | 10.1016/j.bmcl.2004.08.035 | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine