Compound Detail
CHEMBL328824
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Basic Information
| ChEMBL ID | CHEMBL328824 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLPYFEIMSDFUHC-IOSLPCCCSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
411.6
MW (Da)
0.30
ALogP
7
HBA
3
HBD
100.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine kinase CHEMBL3589 | IC50 | 7.62 | 7.62 | 24.0 | 2 |
| HFF CHEMBL614071 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
| Equilibrative nucleoside transporter 1 CHEMBL1997 | IC50 | 4.11 | 4.11 | 77624.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine kinase | IC50 | = | 24.0 | nM | 7.62 | Inhibition of human adenosine kinase activity | 11958989 |
| Adenosine kinase | IC50 | = | 24.0 | nM | 7.62 | Inhibition of recombinant human adenosine kinase | 10956196 |
| HFF | IC50 | = | 13000.0 | nM | 4.89 | Cytotoxicity against uninfected human foreskin fibroblast(HFF cells) | 2846837 |
| Human betaherpesvirus 5 | IC50 | = | 31000.0 | nM | 4.51 | Inhibitory concentration against human cytomegalovirus (HCMV) in plaque reductio... | 2846837 |
| Equilibrative nucleoside transporter 1 | IC50 | = | 77624.71 | nM | 4.11 | Binding affinity to ENT1 transporter | 18289860 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11958989 | 10.1016/s0960-894x(02)00042-2 | Adenosine kinase | 2 |
| 2846837 | 10.1021/jm00119a006 | Human betaherpesvirus 5 | 1 |
| 2846837 | 10.1021/jm00119a006 | HFF | 1 |
| 2846837 | 10.1021/jm00119a006 | ADMET | 1 |
| 15149648 | 10.1016/j.bmcl.2004.04.040 | Adenosine kinase | 1 |
| 10956196 | 10.1021/jm000024g | Adenosine kinase | 1 |
| 18289860 | 10.1016/j.bmc.2008.01.044 | Equilibrative nucleoside transporter 1 | 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