Compound Detail
CHEMBL3143486
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Basic Information
| ChEMBL ID | CHEMBL3143486 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGGASHOTQGRVLP-RRFJBIMHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
0.71
ALogP
6
HBA
2
HBD
93.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidine kinase 2 CHEMBL5489 | Ki | 5.1 | 5.1 | 8000.0 | 1 |
| Thymidine kinase, cytosolic CHEMBL4022 | Ki | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymidine kinase 2 | Ki | = | 8000.0 | nM | 5.1 | Competitive inhibition against rat mitochondrial thymidine kinase | 7097717 |
| Thymidine kinase, cytosolic | Ki | = | 12000.0 | nM | 4.92 | Competitive inhibition against rat cytoplasmic thymidine kinase | 7097717 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7097717 | 10.1021/jm00348a007 | Thymidine kinase 2 | 2 |
| 7097717 | 10.1021/jm00348a007 | Thymidine kinase, cytosolic | 2 |
| 7097717 | 10.1021/jm00348a007 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine