Compound Detail
CHEMBL1650929
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COc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL1650929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLYZWZVTYRHYCV-WQRHYEAKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
504.5
MW (Da)
5.81
ALogP
5
HBA
2
HBD
82.6
PSA (Ų)
0.34
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.6 | 5.565 | 2498.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 2498.0 | nM | 5.6 | Antiviral activity against HIV1 3B infected in human MT2 cells assessed as inhib... | 21190369 |
| Human immunodeficiency virus 1 | EC50 | = | 2940.0 | nM | 5.53 | Antiviral activity against HIV1 isolate 92US657 infected in human MT2 cells asse... | 21190369 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21190369 | 10.1021/jm101014v | Human immunodeficiency virus 1 | 2 |
| 21190369 | 10.1021/jm101014v | MT2 | 1 |
| 21190369 | 10.1021/jm101014v | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine