Compound Detail
CHEMBL199539
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CNS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c2cc(F)cc(C(F)(F)F)c2)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL199539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVJCKKKSJAZIHH-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
558.9
MW (Da)
4.96
ALogP
5
HBA
2
HBD
101.6
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 8.7 | 8.44 | 2.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 2.0 | nM | 8.7 | Antiviral activity against HIV1 K103N mutant using HeLa MAGI assay | 16420058 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 1.995 | nM | 8.7 | Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay | 18155520 |
| Human immunodeficiency virus 1 | IC50 | = | 3.0 | nM | 8.52 | Antiviral activity against HIV1 HxB2 using HeLa MAGI assay | 16420058 |
| Human immunodeficiency virus 1 | IC50 | = | 8.0 | nM | 8.1 | Antiviral activity against HIV1 3B in MT4 cells | 16420058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16420058 | 10.1021/jm050670l | Human immunodeficiency virus 1 | 4 |
| 18155520 | 10.1016/j.bmcl.2007.11.134 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine