Compound Detail
CHEMBL577268
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Basic Information
| ChEMBL ID | CHEMBL577268 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPBCAKKETXMWBJ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
349.5
MW (Da)
3.29
ALogP
5
HBA
1
HBD
60.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 7.36 | 7.36 | 44.0 | 2 |
| C-X-C chemokine receptor type 4 CHEMBL2107 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 44.0 | nM | 7.36 | Antiviral activity against HIV1 3B infected in human HOS cells | 19640718 |
| Human immunodeficiency virus 1 | IC50 | = | 44.0 | nM | 7.36 | Antiviral activity against HIV1 3B infected in human HOS cells expressing human ... | 20207537 |
| C-X-C chemokine receptor type 4 | IC50 | = | 47.0 | nM | 7.33 | Inhibition of human CXCR4 | 20207537 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19640718 | 10.1016/j.bmcl.2009.07.037 | Human immunodeficiency virus 1 | 1 |
| 19640718 | 10.1016/j.bmcl.2009.07.037 | HOS | 1 |
| 19640718 | 10.1016/j.bmcl.2009.07.037 | C-X-C chemokine receptor type 4 | 1 |
| 20207537 | 10.1016/j.bmcl.2010.02.053 | Human immunodeficiency virus 1 | 1 |
| 20207537 | 10.1016/j.bmcl.2010.02.053 | HOS | 1 |
| 20207537 | 10.1016/j.bmcl.2010.02.053 | C-X-C chemokine receptor type 4 | 1 |
Data from ChEMBL 36 via Core Engine