Compound Detail
CHEMBL2165647
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Basic Information
| ChEMBL ID | CHEMBL2165647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQNBLEJTQJSXMZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
536.7
MW (Da)
1.37
ALogP
8
HBA
6
HBD
212.8
PSA (Ų)
0.12
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H2 receptor CHEMBL2882 | EC50 | 8.59 | 8.59 | 2.6 | 2 |
| Histamine H2 receptor CHEMBL1941 | EC50 | 7.24 | 7.24 | 57.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H2 receptor | EC50 | = | 2.57 | nM | 8.59 | Agonist activity at H2R in spontaneously beating guinea pig right atrium assesse... | 22216892 |
| Histamine H2 receptor | EC50 | = | 2.57 | nM | 8.59 | Agonist activity at guinea pig H2R-Gsalphas expressed in Sf9 cells at 0.1 nM to ... | 22216892 |
| Histamine H2 receptor | EC50 | = | 57.54 | nM | 7.24 | 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 | 10 |
| 22216892 | 10.1021/jm201128q | Histamine H4 receptor | 1 |
| 22216892 | 10.1021/jm201128q | Histamine H3 receptor | 1 |
| 22216892 | 10.1021/jm201128q | Histamine H1 receptor | 1 |
| 22216892 | 10.1021/jm201128q | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine