Compound Detail
CHEMBL4069270
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
CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@](C#N)(n2ccc(N)nc2=O)[C@H](O)[C@@H]1O)Oc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4069270 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTKGJAXZEJWNTI-BRMLPGRKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
537.5
MW (Da)
0.26
ALogP
13
HBA
4
HBD
208.2
PSA (Ų)
0.24
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Human orthopneumovirus CHEMBL613127 | EC50 | 4.2 | 4.2 | 63000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 2500.0 | nM | 5.6 | Antiviral activity against Hepatitis C virus genotype 1b infected in human HuH7 ... | 28124907 |
| Human orthopneumovirus | EC50 | = | 63000.0 | nM | 4.2 | Antiviral activity against Respiratory syncytial virus A2 infected in human Hep2... | 28124907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28124907 | 10.1021/acs.jmedchem.6b01594 | Ebolavirus | 1 |
| 28124907 | 10.1021/acs.jmedchem.6b01594 | Human orthopneumovirus | 1 |
| 28124907 | 10.1021/acs.jmedchem.6b01594 | Hepatitis C virus | 1 |
| 28124907 | 10.1021/acs.jmedchem.6b01594 | HEp-2 | 1 |
| 28124907 | 10.1021/acs.jmedchem.6b01594 | Huh-7 | 1 |
| 28124907 | 10.1021/acs.jmedchem.6b01594 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine