Compound Detail
CHEMBL279576
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CC(C)CCn1c(Cn2c(=O)n(Cc3ccc(S(=O)(=O)N(C)C)cc3)c3ccccc32)nc2ccccc21
Basic Information
| ChEMBL ID | CHEMBL279576 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLXYNKUOCPIMMZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
531.7
MW (Da)
4.55
ALogP
7
HBA
0
HBD
82.1
PSA (Ų)
0.28
QED
1
Ro5 Violations
9
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 |
|---|---|---|---|---|---|
| HEp-2 CHEMBL614735 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEp-2 | EC50 | = | 4.0 | nM | 8.4 | Antiviral activity against respiratory syncytial virus in HEp-2 human lung epith... | 14980651 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14980651 | 10.1016/j.bmcl.2003.12.072 | HEp-2 | 2 |
| 14980651 | 10.1016/j.bmcl.2003.12.072 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine