Compound Detail
CHEMBL5573859
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CCC(CC)OC(=O)[C@H](C)NP(=O)(OC[C@@]1(C#N)O[C@@H](c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5573859 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLDDHSYDLDEWQQ-CRHYILTNSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
588.6
MW (Da)
2.28
ALogP
13
HBA
4
HBD
203.6
PSA (Ų)
0.18
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Respiratory syncytial virus CHEMBL612679 | EC50 | 7.54 | 7.405 | 29.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Respiratory syncytial virus | EC50 | = | 29.0 | nM | 7.54 | Antiviral activity against RSV A2 infected in human HEp-2 cells incubated for 4 ... | 39018526 |
| Respiratory syncytial virus | EC50 | = | 54.0 | nM | 7.27 | Antiviral activity against RSV A2 infected in Normal human bronchial epithelial ... | 39018526 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39018526 | 10.1021/acs.jmedchem.4c00899 | Respiratory syncytial virus | 2 |
| 39018526 | 10.1021/acs.jmedchem.4c00899 | HEp-2 | 1 |
| 39018526 | 10.1021/acs.jmedchem.4c00899 | MT4 | 1 |
| 39018526 | 10.1021/acs.jmedchem.4c00899 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine