Compound Detail
CHEMBL1650921
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
O=C(O)c1cccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)c1F
Basic Information
| ChEMBL ID | CHEMBL1650921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHVQDAYCRGLZDD-YVLHZVERSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
493.5
MW (Da)
6.21
ALogP
5
HBA
1
HBD
70.8
PSA (Ų)
0.26
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.19 | 6.425 | 64.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 64.0 | nM | 7.19 | Antiviral activity against HIV1 3B infected in human MT2 cells assessed as inhib... | 21190369 |
| Human immunodeficiency virus 1 | EC50 | = | 2170.0 | nM | 5.66 | 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 |
| 33609889 | 10.1016/j.ejmech.2021.113220 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine