Compound Detail
CHEMBL3753780
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Basic Information
| ChEMBL ID | CHEMBL3753780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFVIAGUROIZONN-DHDCSXOGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
356.3
MW (Da)
2.98
ALogP
7
HBA
3
HBD
105.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.1 | 7.1 | 79.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.36 | 4.36 | 43700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 79.0 | nM | 7.1 | Inhibition of Saccharomyces cerevisiae alpha-Glucosidase using p-nitrophenyl-alp... | 26706176 |
| Human immunodeficiency virus 1 | IC50 | = | 43700.0 | nM | 4.36 | Antiviral activity against VSV-G pseudotyped HIV1 infected in human SupT1 cells ... | 29016131 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29016131 | 10.1021/acs.jnatprod.6b00878 | Human immunodeficiency virus 1 | 2 |
| 26706176 | 10.1016/j.bmcl.2015.12.009 | Unchecked | 1 |
| 29016131 | 10.1021/acs.jnatprod.6b00878 | SUP-T1 | 1 |
Data from ChEMBL 36 via Core Engine