Compound Detail
CHEMBL135863
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Basic Information
| ChEMBL ID | CHEMBL135863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBQQMCWYBSPWES-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
472.5
MW (Da)
2.58
ALogP
6
HBA
3
HBD
104.5
PSA (Ų)
0.32
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidine kinase, cytosolic CHEMBL2883 | IC50 | 4.89 | 4.83 | 13000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymidine kinase, cytosolic | IC50 | = | 13000.0 | nM | 4.89 | Compound was evaluated for inhibitory effect against phosphorylation of [methyl-... | 12213066 |
| Thymidine kinase, cytosolic | IC50 | = | 17000.0 | nM | 4.77 | Inhibitory effect against phosphorylation of [methyl-3H]dThd by Thymidine Kinase... | 12213066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12213066 | 10.1021/jm011128+ | Thymidine kinase, cytosolic | 2 |
Data from ChEMBL 36 via Core Engine