Compound Detail
CHEMBL571458
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Basic Information
| ChEMBL ID | CHEMBL571458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJSUPMMHOXHUJT-QFIPXVFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
418.6
MW (Da)
3.77
ALogP
6
HBA
0
HBD
39.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 5.0 | nM | 8.3 | Antiviral activity against HIV1 3B infected human HOS cells expressing human CXC... | 19818609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19818609 | 10.1016/j.bmcl.2009.09.056 | Human immunodeficiency virus 1 | 2 |
| 19818609 | 10.1016/j.bmcl.2009.09.056 | C-X-C chemokine receptor type 4 | 1 |
| 19818609 | 10.1016/j.bmcl.2009.09.056 | HOS | 1 |
Data from ChEMBL 36 via Core Engine