Compound Detail
CHEMBL2419149
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Basic Information
| ChEMBL ID | CHEMBL2419149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZGKLCQUUVSDMP-RGVLZGJSSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
400.3
MW (Da)
5.65
ALogP
5
HBA
0
HBD
41.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL226 | Ki | 6.73 | 6.73 | 186.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 186.0 | nM | 6.73 | Displacement of [3H]DPCPX from human A1 receptor expressed in HEK293 cell membra... | 23953686 |
| Adenosine receptor A1 | Ki | = | 186.0 | nM | 6.73 | Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell ... | 31780082 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23953686 | 10.1016/j.bmc.2013.07.005 | Adenosine receptor A2a | 3 |
| 23953686 | 10.1016/j.bmc.2013.07.005 | Mus musculus | 2 |
| 23953686 | 10.1016/j.bmc.2013.07.005 | Unchecked | 1 |
| 23953686 | 10.1016/j.bmc.2013.07.005 | Adenosine receptor A1 | 1 |
| 31780082 | 10.1016/j.ejmech.2019.111879 | Adenosine receptor A1 | 1 |
| 31780082 | 10.1016/j.ejmech.2019.111879 | Adenosine receptor A2a | 1 |
| 34695776 | 10.1016/j.ejmech.2021.113907 | Adenosine receptor A2a | 1 |
| 34695776 | 10.1016/j.ejmech.2021.113907 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine