Compound Detail
CHEMBL45941
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Basic Information
| ChEMBL ID | CHEMBL45941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDAXOIOOFFRWTH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
4.53
ALogP
3
HBA
0
HBD
29.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.31 | 5.31 | 4860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 4860.0 | nM | 5.31 | In vitro antiviral activity in Phytohemagglutininin stimulated human PBM cells i... | 2033597 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2033597 | 10.1021/jm00109a031 | Human immunodeficiency virus 1 | 1 |
| 2033597 | 10.1021/jm00109a031 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine