Compound Detail
CHEMBL557151
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Basic Information
| ChEMBL ID | CHEMBL557151 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWTDNEMUIUNTEA-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1196470 |
| Active Moiety | CHEMBL1196470 |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
161.2
MW (Da)
-0.90
ALogP
3
HBA
5
HBD
111.8
PSA (Ų)
0.21
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.3
Ki 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 7.5 | 7.5 | 31.6 | 1 |
| Histamine H4 receptor CHEMBL3759 | EC50 | 7.3 | 7.3 | 50.1 | 1 |
| Histamine H3 receptor CHEMBL264 | EC50 | 6.5 | 6.5 | 316.2 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 31.62 | nM | 7.5 | Displacement of [3H]histamine from human histamine H4 receptor | 17154494 |
| Histamine H4 receptor | EC50 | = | 50.12 | nM | 7.3 | Agonist activity at human histamine H4 receptor in SK-N-MC cells assessed as inh... | 17154494 |
| Histamine H3 receptor | EC50 | = | 316.23 | nM | 6.5 | Agonist activity at human histamine H3 receptor in SK-N-MC cells assessed as inh... | 17154494 |
| Histamine H3 receptor | Ki | = | 1000.0 | nM | 6.0 | Displacement of [3H]Nalpha-methylhistamine from human histamine H3 receptor expr... | 17154494 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17154494 | 10.1021/jm060880d | Histamine H4 receptor | 3 |
| 17154494 | 10.1021/jm060880d | Histamine H3 receptor | 3 |
| 17154494 | 10.1021/jm060880d | Histamine H2 receptor | 3 |
| 17154494 | 10.1021/jm060880d | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine