Compound Detail
CHEMBL244194
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Basic Information
| ChEMBL ID | CHEMBL244194 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLTRYCPZSOSWBT-RCCFBDPRSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
1.34
ALogP
7
HBA
2
HBD
97.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 4.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 3 CHEMBL613132 | EC50 | 4.44 | 4.3367 | 36000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 3 | EC50 | = | 36000.0 | nM | 4.44 | Antiviral activity against thymidine kinase deficient VZV 07/1 in HEL cells asse... | 17622128 |
| Human alphaherpesvirus 3 | EC50 | = | 41000.0 | nM | 4.39 | Antiviral activity against TK+ VZV YS in HEL cells assessed as reduction of viru... | 17622128 |
| Human alphaherpesvirus 3 | EC50 | = | 66000.0 | nM | 4.18 | Antiviral activity against TK+ VZV OKA in HEL cells assessed as reduction of vir... | 17622128 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17622128 | 10.1021/jm070210n | Human alphaherpesvirus 3 | 3 |
| 17622128 | 10.1021/jm070210n | Human betaherpesvirus 5 | 2 |
| 17622128 | 10.1021/jm070210n | HEL | 2 |
| 17622128 | 10.1021/jm070210n | Thymidine kinase | 1 |
Data from ChEMBL 36 via Core Engine