Compound Detail
CHEMBL1682869
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Basic Information
| ChEMBL ID | CHEMBL1682869 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTRPJUPDZLHKFJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
351.5
MW (Da)
3.90
ALogP
4
HBA
2
HBD
70.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.79 | 4.79 | 16300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 16300.0 | nM | 4.79 | Antiviral activity against X4 tropic HIV1 NL4.3 infected in CD4 and CXCR4 expres... | 21295470 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21295470 | 10.1016/j.bmcl.2011.01.021 | Human immunodeficiency virus 1 | 1 |
| 21295470 | 10.1016/j.bmcl.2011.01.021 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine