Compound Detail
CHEMBL99662
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Basic Information
| ChEMBL ID | CHEMBL99662 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAUWOWGTLIYWRN-WOUKDFQISA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
283.7
MW (Da)
1.03
ALogP
6
HBA
2
HBD
80.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine kinase CHEMBL3589 | IC50 | 6.27 | 6.27 | 535.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine kinase | IC50 | = | 535.0 | nM | 6.27 | Inhibition of human adenosine kinase activity | 11958989 |
| Adenosine kinase | IC50 | = | 535.0 | nM | 6.27 | Inhibition of recombinant human adenosine kinase | 10956196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11958989 | 10.1016/s0960-894x(02)00042-2 | Adenosine kinase | 2 |
| 10956196 | 10.1021/jm000024g | Adenosine kinase | 1 |
| 18359230 | 10.1016/j.bmc.2008.03.027 | Adenosine kinase | 1 |
| - | 10.1007/s00044-004-0048-0 | Adenosine kinase | 1 |
Data from ChEMBL 36 via Core Engine