Compound Detail
CHEMBL49171
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Basic Information
| ChEMBL ID | CHEMBL49171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNOAEAPNZUVOPC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
3.96
ALogP
7
HBA
1
HBD
102.6
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CEM-SS CHEMBL614548 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CEM-SS | IC50 | = | 1000.0 | nM | 6.0 | Compound was evaluated for antiviral activity against CEM SS cells infected with... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00584-G | CEM-SS | 2 |
Data from ChEMBL 36 via Core Engine