Compound Detail
CHEMBL3143492
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Basic Information
| ChEMBL ID | CHEMBL3143492 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEYHMSUYKIMUAL-UNYLCCJPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
244.2
MW (Da)
-1.36
ALogP
5
HBA
3
HBD
99.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidine kinase 2 CHEMBL5489 | Ki | 4.11 | 4.11 | 77000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymidine kinase 2 | Ki | = | 77000.0 | nM | 4.11 | Competitive inhibition against rat mitochondrial thymidine kinase | 7097717 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7097717 | 10.1021/jm00348a007 | Thymidine kinase 2 | 3 |
| 7097717 | 10.1021/jm00348a007 | Thymidine kinase, cytosolic | 1 |
Data from ChEMBL 36 via Core Engine