Compound Detail
CHEMBL559499
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Basic Information
| ChEMBL ID | CHEMBL559499 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFCZPOQIPQOUOE-QPJJXVBHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
323.2
MW (Da)
0.54
ALogP
7
HBA
3
HBD
136.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 1 CHEMBL377 | EC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 1 | EC50 | = | 100000.0 | nM | 4.0 | Antiviral activity against Herpes simplex virus type 1 in african green monkey B... | 19410465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19410465 | 10.1016/j.bmc.2009.04.020 | Human betaherpesvirus 5 | 3 |
| 19410465 | 10.1016/j.bmc.2009.04.020 | HFF | 2 |
| 19410465 | 10.1016/j.bmc.2009.04.020 | Human alphaherpesvirus 1 | 2 |
| 19410465 | 10.1016/j.bmc.2009.04.020 | Human gammaherpesvirus 4 | 1 |
| 19410465 | 10.1016/j.bmc.2009.04.020 | ADMET | 1 |
| 19410465 | 10.1016/j.bmc.2009.04.020 | KB | 1 |
| 19410465 | 10.1016/j.bmc.2009.04.020 | Human alphaherpesvirus 2 | 1 |
| 19410465 | 10.1016/j.bmc.2009.04.020 | Human alphaherpesvirus 3 | 1 |
Data from ChEMBL 36 via Core Engine