Compound Detail
CHEMBL39481
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Basic Information
| ChEMBL ID | CHEMBL39481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICNAZHXCHRZCEK-RUDMXATFSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
3.77
ALogP
4
HBA
3
HBD
99.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.92 | 5.8733 | 1200.0 | 3 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 1200.0 | nM | 5.92 | Inhibitory activity against HIV-1 Integrase in strand transfer (integration) | 10780910 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 1400.0 | nM | 5.85 | Inhibitory activity against HIV-1 Integrase in 3'-end- processing | 10780910 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 1412.54 | nM | 5.85 | Inhibition of HIV1 integrase 3' processing activity | 17452064 |
| Human immunodeficiency virus 1 | IC50 | = | 1700.0 | nM | 5.77 | Inhibitory effect upon disintegration catalyzed by the (50-212) deletion mutant | 10780910 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10780910 | 10.1021/jm990467o | Human immunodeficiency virus 1 | 3 |
| 10780910 | 10.1021/jm990467o | Human immunodeficiency virus type 1 integrase | 2 |
| 12361391 | 10.1021/jm020845g | Human immunodeficiency virus 1 | 2 |
| 17452064 | 10.1016/j.ejmech.2007.02.021 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine