Compound Detail
CHEMBL455438
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Basic Information
| ChEMBL ID | CHEMBL455438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRLMOPXJKYHCTA-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
303.3
MW (Da)
2.71
ALogP
5
HBA
2
HBD
87.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.06
IC50 1 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
| Human immunodeficiency virus CHEMBL613758 | EC50 | 5.06 | 5.06 | 8700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 360.0 | nM | 6.44 | Inhibition of HIV1 recombinant integrase strand transfer activity | 19217781 |
| Human immunodeficiency virus | EC50 | = | 8700.0 | nM | 5.06 | Antiviral activity against HIV by pseudo-type HIV assay | 19217781 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19217781 | 10.1016/j.bmcl.2009.01.090 | Human immunodeficiency virus type 1 integrase | 1 |
| 19217781 | 10.1016/j.bmcl.2009.01.090 | Human immunodeficiency virus | 1 |
Data from ChEMBL 36 via Core Engine