Compound Detail
CHEMBL290643
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Basic Information
| ChEMBL ID | CHEMBL290643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SENICTHRDKBJSR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
376.8
MW (Da)
3.04
ALogP
6
HBA
1
HBD
81.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 6.38 | 6.38 | 420.0 | 1 |
| Adenosine receptor A2b CHEMBL255 | Ki | 5.18 | 5.18 | 6530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 420.0 | nM | 6.38 | Binding affinity against A1 adenosine receptors of the central nervous system | 3016270 |
| Adenosine receptor A2b | Ki | = | 6530.0 | nM | 5.18 | Binding affinity at human Adenosine A2B receptor expressed in HEK293 cells, usin... | 12014951 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12014951 | 10.1021/jm0104318 | Adenosine receptor A2b | 1 |
| 3016270 | 10.1021/jm00158a034 | Adenosine receptor A1 | 1 |
| 3016270 | 10.1021/jm00158a034 | Adenosine A2 receptor | 1 |
| 3016270 | 10.1021/jm00158a034 | Adenosine receptors; A1 & A2 | 1 |
Data from ChEMBL 36 via Core Engine