Compound Detail
CHEMBL1914560
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CS(=O)(=O)c1ccc(Cn2c(=O)c(C(=O)NCc3ccc(F)cc3)c(O)c3ncc(Cc4ccccc4)cc32)cc1
Basic Information
| ChEMBL ID | CHEMBL1914560 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFDWYBWLCUHBOM-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
571.6
MW (Da)
4.21
ALogP
7
HBA
2
HBD
118.4
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.05
IC50 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.05 | 7.345 | 9.0 | 2 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 9.0 | nM | 8.05 | Antiviral activity against pseudo HIV1 infected in human 293T cells after 2 days... | 21945283 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 28.0 | nM | 7.55 | Inhibition of HIV1 integrase strand transfer by biochemical assay | 21945283 |
| Human immunodeficiency virus 1 | EC50 | = | 230.0 | nM | 6.64 | Antiviral activity against pseudo HIV1 infected in human 293T cells after 2 days... | 21945283 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21945283 | 10.1016/j.bmcl.2011.08.082 | Human immunodeficiency virus 1 | 3 |
| 21945283 | 10.1016/j.bmcl.2011.08.082 | Human immunodeficiency virus type 1 integrase | 1 |
| 21945283 | 10.1016/j.bmcl.2011.08.082 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine