Compound Detail
CHEMBL4755541
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CC(C)CN(C[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)O[C@H]1C2CO[C@H]3OC[C@@H]1C3C2)S(=O)(=O)c1ccc2nc(NC3CC3)sc2c1
Basic Information
| ChEMBL ID | CHEMBL4755541 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARWGTMGGJGADTI-BYAWAHAASA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
706.8
MW (Da)
4.50
ALogP
10
HBA
3
HBD
139.3
PSA (Ų)
0.23
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 5.0 | nM | 8.3 | Antiviral activity against HIV1 DRVR P51 infected in human MT4 cells incubated f... | 33062180 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33062180 | 10.1021/acsmedchemlett.9b00670 | Human immunodeficiency virus 1 | 6 |
Data from ChEMBL 36 via Core Engine