Compound Detail
CHEMBL260167
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Basic Information
| ChEMBL ID | CHEMBL260167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LILZBBGKOTULGC-QYVSTXNMSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
309.3
MW (Da)
-0.74
ALogP
9
HBA
4
HBD
125.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.43
Ki 1 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL2304404 | Ki | 8.72 | 8.72 | 1.9 | 1 |
| Adenosine receptor A1 CHEMBL318 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 1.9 | nM | 8.72 | Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine ... | 1548682 |
| Adenosine receptor A1 | IC50 | = | 3700.0 | nM | 5.43 | Evaluated for the binding affinity towards the Adenosine A1 receptor in cerebral... | 2374150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7452700 | 10.1021/jm00186a031 | Mus musculus | 18 |
| 7452700 | 10.1021/jm00186a031 | NON-PROTEIN TARGET | 5 |
| 2999397 | 10.1021/jm00149a016 | Albumin | 2 |
| 37248632 | 10.1021/acs.jmedchem.3c00555 | Serine/threonine-protein kinase PINK1, mitochondrial | 2 |
| 11063610 | 10.1021/jm000287a | Phosphoglycerate kinase | 1 |
| 2999397 | 10.1021/jm00149a016 | ADMET | 1 |
| 2999397 | 10.1021/jm00149a016 | Alpha-1A adrenergic receptor | 1 |
| 9822549 | 10.1021/jm9802620 | Glyceraldehyde-3-phosphate dehydrogenase | 1 |
| 7452700 | 10.1021/jm00186a031 | L1210 | 1 |
| 7452700 | 10.1021/jm00186a031 | Burkitts lymphoma cell | 1 |
| 7452700 | 10.1021/jm00186a031 | MCF7 | 1 |
| 1548682 | 10.1021/jm00083a018 | Adenosine receptor A1 | 1 |
| 2374150 | 10.1021/jm00170a031 | Adenosine receptor A1 | 1 |
| 18289860 | 10.1016/j.bmc.2008.01.044 | Equilibrative nucleoside transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine