Compound Detail
CHEMBL464213
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Basic Information
| ChEMBL ID | CHEMBL464213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAUDCLVMJCRQQU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
411.4
MW (Da)
3.76
ALogP
7
HBA
3
HBD
134.7
PSA (Ų)
0.23
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.05 | 5.05 | 9000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of HIV1 integrase 3' processing activity by PAGE | 19026554 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of HIV1 integrase strand transfer activity by PAGE | 19026554 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19026554 | 10.1016/j.bmc.2008.10.088 | Human immunodeficiency virus type 1 integrase | 3 |
| 19026554 | 10.1016/j.bmc.2008.10.088 | HCT-116 | 2 |
Data from ChEMBL 36 via Core Engine