Compound Detail
CHEMBL607917
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Nc1ncnc2c1ncn2C1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)Cc2cn(C3C[C@H](O)[C@@H](CO)O3)c(=O)[nH]c2=O)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL607917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYISFXOBTMJXLO-NQYDYRPCSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
731.4
MW (Da)
-2.85
ALogP
20
HBA
9
HBD
363.4
PSA (Ų)
0.08
QED
3
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidine kinase, cytosolic CHEMBL4022 | Ki | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymidine kinase, cytosolic | Ki | = | 5000.0 | nM | 5.3 | Evaluated for the competitive inhibition constant Ki against ATP varied rat mito... | 7108896 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7108896 | 10.1021/jm00349a007 | Thymidine kinase, cytosolic | 4 |
Data from ChEMBL 36 via Core Engine