Compound Detail
CHEMBL470417
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Basic Information
| ChEMBL ID | CHEMBL470417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXFGRQWVIDCGAU-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
472.5
MW (Da)
1.99
ALogP
6
HBA
2
HBD
119.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.5
IC50 1 meas. best 7.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.5 | 7.275 | 32.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.13 | 7.13 | 74.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 32.0 | nM | 7.5 | Antiviral activity against HIV1 3B infected in human MT2 cells after 5 days by c... | 19285389 |
| Unchecked | IC50 | = | 74.0 | nM | 7.13 | Inhibition of HIV integrase strand transfer activity | 19285389 |
| Human immunodeficiency virus 1 | EC50 | = | 90.0 | nM | 7.05 | Antiviral activity against HIV1 3B infected in human MT2 cells after 5 days by c... | 19285389 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19285389 | 10.1016/j.bmcl.2009.02.092 | Human immunodeficiency virus 1 | 3 |
| 19285389 | 10.1016/j.bmcl.2009.02.092 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine