Compound Detail
CHEMBL419971
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Basic Information
| ChEMBL ID | CHEMBL419971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNFMPUYURARDSU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
2.76
ALogP
4
HBA
3
HBD
88.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CEM-SS CHEMBL614548 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CEM-SS | IC50 | = | 18.0 | nM | 7.75 | Tested for inhibitory concentration on HIV-I Lai wild type in CEM-SS cell line | 11052800 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11052800 | 10.1021/jm0009437 | CEM-SS | 2 |
| 11052800 | 10.1021/jm0009437 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine