Compound Detail
CHEMBL555594
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 | CHEMBL555594 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUMBYVQLUVKXEO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1195926 |
| Active Moiety | CHEMBL1195926 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
126.2
MW (Da)
0.33
ALogP
2
HBA
2
HBD
48.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 6.4 | 6.3 | 398.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 398.11 | nM | 6.4 | In vitro antagonistic activity tested against Histamine H3 receptor on synaptoso... | 8632428 |
| Histamine H3 receptor | Ki | = | 630.96 | nM | 6.2 | Binding affinity towards Histamine H3 receptor on synaptosomes from rat cerebral... | 8632428 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8632428 | 10.1021/jm9504767 | Histamine H3 receptor | 3 |
Data from ChEMBL 36 via Core Engine