Compound Detail
CHEMBL39143
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Basic Information
| ChEMBL ID | CHEMBL39143 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAXMYICVWWCHAK-ZZXKWVIFSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
3.20
ALogP
4
HBA
2
HBD
83.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.39 | 5.2467 | 4073.8 | 3 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.29 | 4.645 | 5100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 4100.0 | nM | 5.39 | Inhibitory activity against HIV-1 Integrase in 3'-end- processing | 10780910 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 4073.8 | nM | 5.39 | Inhibition of HIV1 integrase 3' processing activity | 17452064 |
| Human immunodeficiency virus 1 | IC50 | = | 5100.0 | nM | 5.29 | Inhibitory effect upon disintegration catalyzed by the (50-212) deletion mutant | 10780910 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 11000.0 | nM | 4.96 | Inhibitory activity against HIV-1 Integrase in strand transfer (integration) | 10780910 |
| Human immunodeficiency virus 1 | IC50 | = | 100000.0 | nM | 4.0 | Antiviral activity against HIV1 | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10780910 | 10.1021/jm990467o | Human immunodeficiency virus 1 | 3 |
| 12361391 | 10.1021/jm020845g | Human immunodeficiency virus 1 | 3 |
| 10780910 | 10.1021/jm990467o | Human immunodeficiency virus type 1 integrase | 2 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human immunodeficiency virus 1 | 1 |
| 17452064 | 10.1016/j.ejmech.2007.02.021 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine