Compound Detail
CHEMBL271340
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Cc1cc(C)cc(N(CCO)Cc2ccc3nc(NC4CCN(C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1
Basic Information
| ChEMBL ID | CHEMBL271340 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFRQRIIOETWHFT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
528.7
MW (Da)
4.62
ALogP
8
HBA
3
HBD
89.7
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Respiratory syncytial virus CHEMBL612679 | EC50 | 9.4 | 9.4 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Respiratory syncytial virus | EC50 | = | 0.3981 | nM | 9.4 | Inhibition of RSV by MTT assay | 18254606 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18254606 | 10.1021/jm701284j | Respiratory syncytial virus | 1 |
| 18254606 | 10.1021/jm701284j | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine