Compound Detail
CHEMBL1172579
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 | CHEMBL1172579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVEDTVSXAMRDOG-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
309.3
MW (Da)
3.89
ALogP
2
HBA
1
HBD
31.9
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.68
Ki 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | EC50 | 9.68 | 9.68 | 0.2 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | EC50 | = | 0.21 | nM | 9.68 | Agonist activity at human recombinant histamine H3 receptor expressed in CHO-K1 ... | 20541426 |
| Histamine H3 receptor | Ki | = | 1.0 | nM | 9.0 | Displacement of [3H] (R)-alpha-methylhistamine from human recombinant histamine ... | 20541426 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20541426 | 10.1016/j.bmc.2010.04.052 | Histamine H3 receptor | 4 |
Data from ChEMBL 36 via Core Engine