Compound Detail
CHEMBL189575
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Basic Information
| ChEMBL ID | CHEMBL189575 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMFZDAICXLQMRC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
4.02
ALogP
7
HBA
1
HBD
83.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine kinase CHEMBL3589 | IC50 | 7.42 | 6.97 | 38.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine kinase | IC50 | = | 38.0 | nM | 7.42 | Inhibitory concentration against Adenosine Kinase (enzyme) | 15911258 |
| Adenosine kinase | IC50 | = | 300.0 | nM | 6.52 | Inhibitory concentration against Adenosine Kinase (intact cells) | 15911258 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15911258 | 10.1016/j.bmcl.2005.03.098 | Adenosine kinase | 2 |
Data from ChEMBL 36 via Core Engine