Compound Detail
CHEMBL2165641
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Basic Information
| ChEMBL ID | CHEMBL2165641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJVLJZYSFWQURQ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
0.90
ALogP
4
HBA
6
HBD
192.3
PSA (Ų)
0.12
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H2 receptor CHEMBL2882 | EC50 | 8.49 | 8.49 | 3.2 | 1 |
| Histamine H3 receptor CHEMBL264 | EC50 | 8.38 | 8.38 | 4.2 | 1 |
| Histamine H4 receptor CHEMBL3759 | EC50 | 7.38 | 7.38 | 41.7 | 1 |
| Histamine H2 receptor CHEMBL1941 | EC50 | 7.25 | 7.25 | 56.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H2 receptor | EC50 | = | 3.236 | nM | 8.49 | Agonist activity at guinea pig H2R-Gsalphas expressed in Sf9 cells at 0.1 nM to ... | 22216892 |
| Histamine H3 receptor | EC50 | = | 4.169 | nM | 8.38 | Agonist activity at human H3R-Galphai2-Gbeta1gamma2-RGS4 expressed in Sf9 cells ... | 22216892 |
| Histamine H4 receptor | EC50 | = | 41.69 | nM | 7.38 | Agonist activity at human H4R-RGS19 Galphai2 Gbeta1gamma2 expressed in Sf9 cells... | 22216892 |
| Histamine H2 receptor | EC50 | = | 56.23 | nM | 7.25 | Agonist activity at human H2R-Gsalphas expressed in Sf9 cells at 0.1 nM to 10 uM... | 22216892 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22216892 | 10.1021/jm201128q | Histamine H2 receptor | 6 |
| 22216892 | 10.1021/jm201128q | Histamine H4 receptor | 2 |
| 22216892 | 10.1021/jm201128q | Histamine H3 receptor | 2 |
| 22216892 | 10.1021/jm201128q | Histamine H1 receptor | 1 |
| 22216892 | 10.1021/jm201128q | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine