Compound Detail
CHEMBL416364
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Basic Information
| ChEMBL ID | CHEMBL416364 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUABUUUEBFFLID-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
3.72
ALogP
5
HBA
1
HBD
97.7
PSA (Ų)
0.33
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.72 | 4.63 | 19000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of Integrase catalyzed strand transfer (ST) as measured in an in vitr... | 14980666 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 29000.0 | nM | 4.54 | Inhibition of Integrase catalyzed strand transfer (ST) as measured in an in vitr... | 14980666 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14980666 | 10.1016/j.bmcl.2003.12.064 | Human immunodeficiency virus type 1 integrase | 3 |
Data from ChEMBL 36 via Core Engine