Compound Detail
CHEMBL4749320
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Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NC(C)c3ccccc3O)[nH]c3ccc(Cl)cc23)c1
Basic Information
| ChEMBL ID | CHEMBL4749320 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKJQCTPXUOUZME-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
483.0
MW (Da)
5.47
ALogP
4
HBA
3
HBD
99.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.72 | 6.8733 | 19.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 19.0 | nM | 7.72 | Antiviral activity against HIV1 harboring RT Y181C mutant infected in human MT4 ... | 32883642 |
| Human immunodeficiency virus 1 | EC50 | = | 190.0 | nM | 6.72 | Antiviral activity against HIV1 harboring RT Y188L mutant infected in human MT4 ... | 32883642 |
| Human immunodeficiency virus 1 | EC50 | = | 662.0 | nM | 6.18 | Antiviral activity against HIV1 harboring RT K103N/Y181C double mutant infected ... | 32883642 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32883642 | 10.1016/j.ejmech.2020.112696 | Human immunodeficiency virus 1 | 8 |
| 32883642 | 10.1016/j.ejmech.2020.112696 | MT4 | 1 |
| 32883642 | 10.1016/j.ejmech.2020.112696 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine