Compound Detail
CHEMBL418426
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Basic Information
| ChEMBL ID | CHEMBL418426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APUDCNQYHMVMEC-OBGWFSINSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
3.41
ALogP
7
HBA
1
HBD
111.3
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 5.23 | 5.23 | 5900.0 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 4.45 | 4.45 | 35600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 5900.0 | nM | 5.23 | Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in... | 8709132 |
| Adenosine receptor A2a | Ki | = | 35600.0 | nM | 4.45 | Displacement of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striata... | 8709132 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9154974 | 10.1021/jm9604989 | No relevant target | 2 |
| 9154974 | 10.1021/jm9604989 | HepG2 | 1 |
| 8709132 | 10.1021/jm9600205 | Adenosine receptor A1 | 1 |
| 8709132 | 10.1021/jm9600205 | Adenosine receptor A2a | 1 |
| 8709132 | 10.1021/jm9600205 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine