Compound Detail
CHEMBL329774
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Basic Information
| ChEMBL ID | CHEMBL329774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVNUUCOUXOZJMS-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
445.4
MW (Da)
1.39
ALogP
6
HBA
2
HBD
91.0
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.05
Kd 1 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL226 | Kd | 8.82 | 8.82 | 1.5 | 1 |
| Adenosine receptor A1 CHEMBL226 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Kd | = | 1.5 | nM | 8.82 | Specific binding of [3H]CPX to the A1-adenosine receptor | 8064798 |
| Adenosine receptor A1 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of specific binding of [3H]CPX to the A1 adenosine receptor in DDT1 M... | 8064798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8064798 | 10.1021/jm00043a010 | Adenosine receptor A1 | 3 |
Data from ChEMBL 36 via Core Engine