Compound Detail
CHEMBL4755064
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
CCCCCCCCCCCCCCCCSSc1ccccc1COP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21
Basic Information
| ChEMBL ID | CHEMBL4755064 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRCRADMOVZYBLP-HHHXNRCGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
665.9
MW (Da)
9.39
ALogP
10
HBA
2
HBD
125.4
PSA (Ų)
0.05
QED
2
Ro5 Violations
25
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.64 | 7.64 | 22.9 | 1 |
| Hepatitis B virus CHEMBL613497 | EC50 | 5.35 | 5.35 | 4480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 22.9 | nM | 7.64 | Antiviral activity against HIV1 infected in human PBMC assessed as reduction in ... | 27933889 |
| Hepatitis B virus | EC50 | = | 4480.0 | nM | 5.35 | Antiviral activity against HBV infected in human HepG2 assessed as reduction in ... | 27933889 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27933889 | 10.1021/acs.jmedchem.6b01292 | ADMET | 2 |
| 27933889 | 10.1021/acs.jmedchem.6b01292 | Human immunodeficiency virus 1 | 1 |
| 27933889 | 10.1021/acs.jmedchem.6b01292 | Unchecked | 1 |
| 27933889 | 10.1021/acs.jmedchem.6b01292 | Hepatitis B virus | 1 |
| 27933889 | 10.1021/acs.jmedchem.6b01292 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine