Compound Detail
CHEMBL3608435
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Basic Information
| ChEMBL ID | CHEMBL3608435 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOLRXUJDEAXCSP-QFOLPQNPSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
291.3
MW (Da)
-1.64
ALogP
9
HBA
4
HBD
149.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Respiratory syncytial virus CHEMBL612679 | EC50 | 5.21 | 5.19 | 6230.0 | 2 |
| Human orthopneumovirus CHEMBL613127 | EC50 | 5.14 | 5.14 | 7300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Respiratory syncytial virus | EC50 | = | 6230.0 | nM | 5.21 | Antiviral activity against RSV A2 infected in Normal human bronchial epithelial ... | 39018526 |
| Respiratory syncytial virus | EC50 | = | 6830.0 | nM | 5.17 | Antiviral activity against RSV A2 infected in human HEp-2 cells incubated for 4 ... | 39018526 |
| Human orthopneumovirus | EC50 | = | 7300.0 | nM | 5.14 | Antiviral activity against Human respiratory syncytial virus | 26191357 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39018526 | 10.1021/acs.jmedchem.4c00899 | Respiratory syncytial virus | 2 |
| 26191357 | 10.1021/acsmedchemlett.5b00233 | MT4 | 1 |
| 26191357 | 10.1021/acsmedchemlett.5b00233 | ADMET | 1 |
| 26191357 | 10.1021/acsmedchemlett.5b00233 | Human orthopneumovirus | 1 |
| 39018526 | 10.1021/acs.jmedchem.4c00899 | HEp-2 | 1 |
| 39018526 | 10.1021/acs.jmedchem.4c00899 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine