Compound Detail
CHEMBL422810
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Basic Information
| ChEMBL ID | CHEMBL422810 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHMZJUVAVWRNLN-VAWYXSNFSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
4.41
ALogP
4
HBA
1
HBD
64.1
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidine kinase, cytosolic CHEMBL2883 | IC50 | 6.64 | 5.5 | 230.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymidine kinase, cytosolic | IC50 | = | 230.0 | nM | 6.64 | Inhibitory activity against HSV-1 Thymidine kinase in OST-TK-/HSV-1 TK+ cell lin... | 12213066 |
| Thymidine kinase, cytosolic | IC50 | = | 390.0 | nM | 6.41 | Inhibitory concentration against HSV-1 TK (WT) catalyzed [3H]-GCV phosphorylatio... | 12213066 |
| Thymidine kinase, cytosolic | IC50 | = | 3000.0 | nM | 5.52 | Compound was evaluated for inhibitory effect against phosphorylation of [methyl-... | 12213066 |
| Thymidine kinase, cytosolic | IC50 | = | 3100.0 | nM | 5.51 | Inhibitory activity against HSV-1 Thymidine kinase in OST-TK-/HSV-1 TK+ cell lin... | 12213066 |
| Thymidine kinase, cytosolic | IC50 | = | 25000.0 | nM | 4.6 | Inhibitory effect against phosphorylation of [methyl-3H]dThd by Thymidine Kinase... | 12213066 |
| Thymidine kinase, cytosolic | IC50 | = | 48000.0 | nM | 4.32 | Inhibitory concentration against HSV-1 TK (A167Y) catalyzed [3H]-GCV phosphoryla... | 12213066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12213066 | 10.1021/jm011128+ | Thymidine kinase, cytosolic | 6 |
Data from ChEMBL 36 via Core Engine