Compound Detail
CHEMBL410274
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Cc1cc(C)cc(NCc2ccc3nc(NCCCN4CCN(C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1
Basic Information
| ChEMBL ID | CHEMBL410274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGOCXONVOXGMAO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
527.7
MW (Da)
4.77
ALogP
8
HBA
3
HBD
81.5
PSA (Ų)
0.26
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Respiratory syncytial virus CHEMBL612679 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| t1/2 | - | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Respiratory syncytial virus | EC50 | = | 3.981 | nM | 8.4 | 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 |
| 18254606 | 10.1021/jm701284j | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine