Compound Detail
CHEMBL276790
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CC1(CCn2c(Cn3c(=O)n(Cc4cc(I)c(O)c(I)c4)c4ccccc43)nc3ccccc32)N=N1
Basic Information
| ChEMBL ID | CHEMBL276790 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOOKQGOEABULEO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
704.3
MW (Da)
5.74
ALogP
8
HBA
1
HBD
89.7
PSA (Ų)
0.22
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEp-2 CHEMBL614735 | EC50 | 7.42 | 7.42 | 38.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEp-2 | EC50 | = | 38.0 | nM | 7.42 | 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