Compound Detail
CHEMBL64239
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Basic Information
| ChEMBL ID | CHEMBL64239 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKHMZCMKHPHFOT-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
205.2
MW (Da)
0.72
ALogP
6
HBA
1
HBD
78.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.62
IC50 2 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine A2 receptor CHEMBL2094117 | Ki | 5.62 | 5.13 | 2400.0 | 2 |
| Phosphatidylinositol 4-kinase, PI4K CHEMBL2096619 | Ki | 4.67 | 4.67 | 21200.0 | 1 |
| Phosphatidylinositol 4-kinase, PI4K CHEMBL2096619 | IC50 | 4.55 | 4.55 | 28200.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 4.55 | 4.55 | 28000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine A2 receptor | Ki | = | 2400.0 | nM | 5.62 | Tested for inhibition of rat PC12 adenylate cyclase stimulation by using NECA as... | 1895305 |
| Phosphatidylinositol 4-kinase, PI4K | Ki | = | 21200.0 | nM | 4.67 | Binding affinity (Ki) against human phosphatidylinositol 4-kinase | 2165159 |
| Adenosine A2 receptor | Ki | = | 23000.0 | nM | 4.64 | Binding affinity against adenosine A2 receptor in rat striatum by using [3H]NECA... | 1895305 |
| Phosphatidylinositol 4-kinase, PI4K | IC50 | = | 28200.0 | nM | 4.55 | Inhibitory activity (IC50) against human phosphatidylinositol 4-kinase at the AT... | 2165159 |
| Adenosine receptor A1 | Ki | = | 28000.0 | nM | 4.55 | Binding affinity against adenosine A1 receptor in rat cortex by using [3H]- PIA ... | 1895305 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2165159 | 10.1021/jm00170a005 | Phosphatidylinositol 4-kinase, PI4K | 3 |
| 1895305 | 10.1021/jm00113a029 | Adenosine A2 receptor | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 34102377 | 10.1016/j.ejmech.2021.113581 | Adenylate cyclase type 3 | 1 |
| 34102377 | 10.1016/j.ejmech.2021.113581 | Adenylate cyclase type 2 | 1 |
| 34102377 | 10.1016/j.ejmech.2021.113581 | Adenylate cyclase type 1 | 1 |
| 34102377 | 10.1016/j.ejmech.2021.113581 | J774.A1 | 1 |
| 34102377 | 10.1016/j.ejmech.2021.113581 | Unchecked | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| 18588282 | 10.1021/jm701575k | Unchecked | 1 |
| 1895305 | 10.1021/jm00113a029 | Adenosine receptors; A1 & A2 | 1 |
| 1895305 | 10.1021/jm00113a029 | ADMET | 1 |
| 1895305 | 10.1021/jm00113a029 | Adenosine receptor A1 | 1 |
| 2165159 | 10.1021/jm00170a005 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine