Compound Detail
CHEMBL58057
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Basic Information
| ChEMBL ID | CHEMBL58057 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNDFQQZTILEGAV-QPJJXVBHSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
3.52
ALogP
4
HBA
3
HBD
73.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.62 | 5.2933 | 2400.0 | 3 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Gag-Pol polyprotein CHEMBL2750 | IC50 | 4.19 | 4.19 | 65100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 2400.0 | nM | 5.62 | In vitro anti-HIV integrase activity against integration (strand transfer) of ta... | 9667973 |
| Human immunodeficiency virus 1 | IC50 | = | 2500.0 | nM | 5.6 | Effect upon disintegration catalyzed by the deletion mutant | 9667973 |
| CCRF-CEM | IC50 | = | 3600.0 | nM | 5.44 | Antiviral activity was measured as IC50 by calculating amount of virus present i... | 9667973 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 7400.0 | nM | 5.13 | HIV integrase inhibitory potency was evaluated as IC50 on 3' processing of targe... | 9667973 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 7413.1 | nM | 5.13 | Inhibition of HIV1 integrase 3' processing activity | 17452064 |
| Gag-Pol polyprotein | IC50 | = | 65100.0 | nM | 4.19 | Inhibition of rous sarcoma virus (RSV) Integrase. | 10821707 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9667973 | 10.1021/jm980043e | CCRF-CEM | 5 |
| 12361391 | 10.1021/jm020845g | Human immunodeficiency virus 1 | 2 |
| 9667973 | 10.1021/jm980043e | Human immunodeficiency virus type 1 integrase | 2 |
| 20363627 | 10.1016/j.bmcl.2010.03.061 | Serine/threonine-protein kinase pim-1 | 2 |
| 10821707 | 10.1021/jm9911581 | Gag-Pol polyprotein | 1 |
| 9667973 | 10.1021/jm980043e | 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