Compound Detail
CHEMBL49513
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 | CHEMBL49513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSEWACBLYMCGGM-FNOROQBZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
368.7
MW (Da)
0.43
ALogP
11
HBA
3
HBD
140.6
PSA (Ų)
0.44
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 7.51 | 7.51 | 31.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 6.21 | 6.21 | 620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 31.0 | nM | 7.51 | Binding affinity for adenosine A3 receptor as inhibition of [125I]AB-MECA bindin... | 9873431 |
| Adenosine receptor A1 | Ki | = | 620.0 | nM | 6.21 | Binding affinity for adenosine A1 receptor as inhibition of 3[H]-R-PIA binding i... | 9873431 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873431 | 10.1016/s0960-894x(98)00302-3 | Adenosine receptor A1 | 1 |
| 9873431 | 10.1016/s0960-894x(98)00302-3 | Adenosine receptor A2a | 1 |
| 9873431 | 10.1016/s0960-894x(98)00302-3 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine