Compound Detail
CHEMBL5190021
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Basic Information
| ChEMBL ID | CHEMBL5190021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQVLJTMZBIWZJO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
4
PK Parameters
5
Publications
0
Known Names
Molecular Properties
291.4
MW (Da)
3.65
ALogP
3
HBA
1
HBD
42.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 2 CHEMBL370 | EC50 | 6.85 | 6.85 | 140.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | EC50 | 6.68 | 6.68 | 210.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 10.0 | % | Mus musculus |
| T1/2 | 0.08333 | hr | Mus musculus |
| T1/2 | 0.08333 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 2 | EC50 | = | 140.0 | nM | 6.85 | Antiviral activity against HSV-2 infected in African green monkey Vero cells ass... | 35635945 |
| Human alphaherpesvirus 1 | EC50 | = | 210.0 | nM | 6.68 | Antiviral activity against HSV-1 infected in African green monkey Vero cells ass... | 35635945 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35635945 | 10.1016/j.ejmech.2022.114443 | ADMET | 8 |
| 35635945 | 10.1016/j.ejmech.2022.114443 | Human alphaherpesvirus 2 | 7 |
| 35635945 | 10.1016/j.ejmech.2022.114443 | Human alphaherpesvirus 1 | 3 |
| 35635945 | 10.1016/j.ejmech.2022.114443 | Vero | 1 |
| 35635945 | 10.1016/j.ejmech.2022.114443 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine