Compound Detail
CHEMBL4522009
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Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NS(=O)(=O)C(F)(F)F)[nH]c3ccc(Cl)cc23)c1
Basic Information
| ChEMBL ID | CHEMBL4522009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSNGIWPWDFJYCP-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
494.9
MW (Da)
3.85
ALogP
5
HBA
2
HBD
113.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.44 | 5.775 | 360.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 360.0 | nM | 6.44 | Antiviral activity against HIV-1 3B infected in human MT4 cells assessed as redu... | 31434039 |
| Human immunodeficiency virus 1 | EC50 | = | 920.0 | nM | 6.04 | Antiviral activity against drug resistant HIV-1 harboring reverse transcriptase ... | 31434039 |
| Human immunodeficiency virus 1 | EC50 | = | 1410.0 | nM | 5.85 | Antiviral activity against drug resistant HIV-1 harboring reverse transcriptase ... | 31434039 |
| Human immunodeficiency virus 1 | EC50 | = | 2480.0 | nM | 5.61 | Antiviral activity against drug resistant HIV-1 harboring reverse transcriptase ... | 31434039 |
| Human immunodeficiency virus 1 | EC50 | = | 3530.0 | nM | 5.45 | Antiviral activity against drug resistant HIV-1 harboring reverse transcriptase ... | 31434039 |
| Human immunodeficiency virus 1 | EC50 | = | 5510.0 | nM | 5.26 | Antiviral activity against drug resistant HIV-1 harboring reverse transcriptase ... | 31434039 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31434039 | 10.1016/j.ejmech.2019.111619 | Human immunodeficiency virus 1 | 9 |
| 31434039 | 10.1016/j.ejmech.2019.111619 | Unchecked | 2 |
| 31434039 | 10.1016/j.ejmech.2019.111619 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine