Compound Detail
CHEMBL554964
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL554964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNXIGCCEHAYDFJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL293762 |
| Active Moiety | CHEMBL293762 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
157.2
MW (Da)
0.53
ALogP
4
HBA
2
HBD
64.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H2 receptor CHEMBL2882 | Kd | 5.3 | 5.3 | 5011.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H2 receptor | Kd | = | 5011.87 | nM | 5.3 | Compound is evaluated for histamine H2 receptor agonistic activity in guinea pig... | 1507209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1507209 | 10.1021/jm00095a021 | Histamine H2 receptor | 3 |
Data from ChEMBL 36 via Core Engine