Compound Detail
CHEMBL5094263
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 | CHEMBL5094263 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQKVWEYZUVUWJT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
4.16
ALogP
5
HBA
1
HBD
64.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 6.08 | 6.08 | 828.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 11.0 | nM | 7.96 | Displacement of [3H] N-alpha methylhistamine from human recombinant histamine H3... | 34107215 |
| Adenosine receptor A1 | Ki | = | 828.0 | nM | 6.08 | Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed ... | 34107215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34107215 | 10.1021/acs.jmedchem.0c00914 | Adenosine receptor A2a | 2 |
| 34107215 | 10.1021/acs.jmedchem.0c00914 | Adenosine receptor A2b | 2 |
| 34107215 | 10.1021/acs.jmedchem.0c00914 | Adenosine receptor A3 | 2 |
| 34107215 | 10.1021/acs.jmedchem.0c00914 | Adenosine receptor A1 | 1 |
| 34107215 | 10.1021/acs.jmedchem.0c00914 | Histamine H3 receptor | 1 |
| 34107215 | 10.1021/acs.jmedchem.0c00914 | SH-SY5Y | 1 |
Data from ChEMBL 36 via Core Engine