Compound Detail
CHEMBL484299
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COC(=O)c1ccc(C(=O)Nc2nc3ccccc3n3c(=O)n(-c4ccc(OC)cc4)nc23)cc1
Basic Information
| ChEMBL ID | CHEMBL484299 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHWJIRLIHUBABC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
469.5
MW (Da)
3.08
ALogP
9
HBA
1
HBD
116.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 5.86 | 5.86 | 1370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 1370.0 | nM | 5.86 | Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed ... | 18468446 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18468446 | 10.1016/j.bmc.2008.04.039 | Adenosine receptor A3 | 1 |
| 18468446 | 10.1016/j.bmc.2008.04.039 | Unchecked | 1 |
| 18468446 | 10.1016/j.bmc.2008.04.039 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine