Compound Detail
CHEMBL4788280
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NCC(=O)NCc3ccccc3O)[nH]c3ccc(Cl)cc23)c1
Basic Information
| ChEMBL ID | CHEMBL4788280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXZMXVIMAWUUHJ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
526.0
MW (Da)
4.02
ALogP
5
HBA
4
HBD
128.4
PSA (Ų)
0.29
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.77 | 7.41 | 1.7 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 1.7 | nM | 8.77 | Antiviral activity against HIV1 harboring RT Y188L mutant infected in human MT4 ... | 32883642 |
| Human immunodeficiency virus 1 | EC50 | = | 1.9 | nM | 8.72 | Antiviral activity against HIV1 harboring RT Y181C mutant infected in human MT4 ... | 32883642 |
| Human immunodeficiency virus 1 | EC50 | = | 151.0 | nM | 6.82 | Antiviral activity against HIV1 harboring RT K103N mutant infected in human MT4 ... | 32883642 |
| Human immunodeficiency virus 1 | EC50 | = | 4621.0 | nM | 5.33 | 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 | 9 |
| 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