Compound Detail
CHEMBL4082499
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4082499 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANACFZHCZGUTBM-ZCFIWIBFSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
281.2
MW (Da)
-0.68
ALogP
6
HBA
3
HBD
127.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | EC50 | 4.57 | 4.57 | 27100.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.38 | 4.275 | 41860.0 | 2 |
| Human alphaherpesvirus 3 CHEMBL613132 | EC50 | 4.15 | 4.15 | 71100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | EC50 | = | 27100.0 | nM | 4.57 | Antiviral activity against HCMV Davis strain infected in HEL cells assessed as i... | 28682067 |
| Human immunodeficiency virus 1 | EC50 | = | 41860.0 | nM | 4.38 | Antiviral activity against CXCR4-tropic HIV-1 NL4-3 infected in human TZM-bl cel... | 28682067 |
| Human immunodeficiency virus 1 | EC50 | = | 68460.0 | nM | 4.17 | Antiviral activity against CCR5 tropic HIV1 BaL infected in human TZM-bl cells a... | 28682067 |
| Human alphaherpesvirus 3 | EC50 | = | 71100.0 | nM | 4.15 | Antiviral activity against thymidine kinase expressing Varicella-Zoster virus Ok... | 28682067 |
| Human alphaherpesvirus 3 | EC50 | = | 71100.0 | nM | 4.15 | Antiviral activity against thymidine kinase deficient Varicella-Zoster virus 07-... | 28682067 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28682067 | 10.1021/acs.jmedchem.7b00416 | Unchecked | 3 |
| 28682067 | 10.1021/acs.jmedchem.7b00416 | Hepatitis B virus | 2 |
| 28682067 | 10.1021/acs.jmedchem.7b00416 | Human immunodeficiency virus 1 | 2 |
| 28682067 | 10.1021/acs.jmedchem.7b00416 | Human betaherpesvirus 5 | 2 |
| 28682067 | 10.1021/acs.jmedchem.7b00416 | Human alphaherpesvirus 3 | 2 |
| 28682067 | 10.1021/acs.jmedchem.7b00416 | HEL | 2 |
| 28682067 | 10.1021/acs.jmedchem.7b00416 | TZM | 1 |
| 28682067 | 10.1021/acs.jmedchem.7b00416 | HepG2 2.2.15 | 1 |
Data from ChEMBL 36 via Core Engine