Compound Detail
CHEMBL445629
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Basic Information
| ChEMBL ID | CHEMBL445629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIUJWDGLDRZXDG-WHFBIAKZSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
-0.31
ALogP
9
HBA
3
HBD
119.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.12
IC50 1 meas. best 4.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.12 | 5.12 | 7620.0 | 1 |
| Vero CHEMBL391 | IC50 | 4.2 | 4.2 | 63600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 7620.0 | nM | 5.12 | Concentration required for antiviral activity in PBMC (human peripheral blood mo... | 8410975 |
| Vero | IC50 | = | 63600.0 | nM | 4.2 | Inhibition of cell growth in vero cells | 8410975 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8410975 | 10.1021/jm00070a006 | Human immunodeficiency virus 1 | 2 |
| 8410975 | 10.1021/jm00070a006 | Vero | 1 |
Data from ChEMBL 36 via Core Engine