Compound Detail
CHEMBL369379
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Basic Information
| ChEMBL ID | CHEMBL369379 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIFCDUXKRJFRTJ-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
300.2
MW (Da)
1.59
ALogP
6
HBA
4
HBD
140.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.21 | 5.152 | 6100.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 6100.0 | nM | 5.21 | Inhibitory activity against HIV-1 integrase | 15006380 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 6100.0 | nM | 5.21 | Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in... | 9083483 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 6100.0 | nM | 5.21 | Inhibitory concentration of compound against strand transfer of HIV-1 integrase ... | 9083483 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 7600.0 | nM | 5.12 | Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in... | 9083483 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 9800.0 | nM | 5.01 | Inhibitory concentration of compound against strand transfer of HIV-1 integrase ... | 9083483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9083483 | 10.1021/jm960759e | Human immunodeficiency virus type 1 integrase | 6 |
| 15006380 | 10.1016/j.bmcl.2004.01.027 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine