Compound Detail
CHEMBL4788094
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CC(C)n1cc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2cccc(Cl)c2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL4788094 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROVUAIVKHDBEPC-SANMLTNESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
488.0
MW (Da)
5.81
ALogP
3
HBA
1
HBD
54.3
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 1300.0 | nM | 5.89 | Antiviral activity against HIV1 NL4-3 infected in human TZM-GFP cells assessed a... | 32438252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32438252 | 10.1016/j.ejmech.2020.112427 | Human immunodeficiency virus 1 | 1 |
| 32438252 | 10.1016/j.ejmech.2020.112427 | TZM | 1 |
| 32438252 | 10.1016/j.ejmech.2020.112427 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine