Compound Detail
CHEMBL3143490
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Basic Information
| ChEMBL ID | CHEMBL3143490 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKBLTVLVAKRXHE-YNEHKIRRSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
0.15
ALogP
7
HBA
2
HBD
93.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 4.44
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidine kinase, cytosolic CHEMBL4022 | Ki | 4.44 | 4.44 | 36000.0 | 1 |
| Thymidine kinase, cytosolic CHEMBL3227916 | Ki | 4.14 | 4.14 | 72000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymidine kinase, cytosolic | Ki | = | 36000.0 | nM | 4.44 | Competitive inhibition against rat cytoplasmic Thymidine kinase | 7097717 |
| Thymidine kinase, cytosolic | Ki | = | 72000.0 | nM | 4.14 | Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine ... | 458818 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 395303 | 10.1021/jm00198a017 | Unchecked | 3 |
| 7097717 | 10.1021/jm00348a007 | Thymidine kinase 2 | 2 |
| 7097717 | 10.1021/jm00348a007 | Thymidine kinase, cytosolic | 2 |
| 7097717 | 10.1021/jm00348a007 | Unchecked | 1 |
| 458818 | 10.1021/jm00192a005 | Thymidine kinase, cytosolic | 1 |
Data from ChEMBL 36 via Core Engine