Compound Detail
CHEMBL103444
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Basic Information
| ChEMBL ID | CHEMBL103444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDFOGJCWLBOPGZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
453.3
MW (Da)
5.58
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.42
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 7.6 | 7.255 | 25.0 | 2 |
| Homo sapiens CHEMBL372 | IC50 | 5.83 | 5.83 | 1467.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 25.0 | nM | 7.6 | Inhibition of concanavalin A (con A)-induced proliferation of human peripheral b... | 10956206 |
| Human immunodeficiency virus 1 | IC50 | = | 122.0 | nM | 6.91 | Inhibition of concanavalin A (con A)-induced proliferation of rat peripheral blo... | 10956206 |
| Homo sapiens | IC50 | = | 1467.0 | nM | 5.83 | Inhibition of interleukin-2 (IL-2) synthesis in human whole blood stimulated by ... | 10956206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10956206 | 10.1021/jm990615a | Human immunodeficiency virus 1 | 2 |
| 10956206 | 10.1021/jm990615a | Homo sapiens | 2 |
Data from ChEMBL 36 via Core Engine