Compound Detail
CHEMBL4460859
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Basic Information
| ChEMBL ID | CHEMBL4460859 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGBDVGHICFMGKJ-HPQVQDLLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
376.2
MW (Da)
-0.99
ALogP
8
HBA
4
HBD
136.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine kinase CHEMBL3589 | IC50 | 10.22 | 8.77 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine kinase | IC50 | = | 0.06 | nM | 10.22 | Inhibition of human adenosine kinase assessed as reduction in conversion of aden... | 27410258 |
| Adenosine kinase | IC50 | = | 48.0 | nM | 7.32 | Inhibition of human adenosine kinase assessed as effect on reduced nicotinamide-... | 27410258 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27410258 | 10.1021/acs.jmedchem.6b00689 | Adenosine kinase | 6 |
Data from ChEMBL 36 via Core Engine