Compound Detail
CHEMBL1257696
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Basic Information
| ChEMBL ID | CHEMBL1257696 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UUNOWGXCAZIXDX-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
468.5
MW (Da)
2.09
ALogP
8
HBA
2
HBD
105.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.92
IC50 1 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.92 | 7.075 | 12.0 | 2 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 6.37 | 6.37 | 429.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 12.0 | nM | 7.92 | Antiviral activity against HIV1 NL4-3 infected in human Hut78 cells assessed as ... | 20727748 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 429.0 | nM | 6.37 | Inhibition of HIV1 integrase 3'-strand transfer | 20727748 |
| Human immunodeficiency virus 1 | EC50 | = | 590.0 | nM | 6.23 | Antiviral activity against HIV1 NL4-3 infected in human Hut78 cells assessed as ... | 20727748 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20727748 | 10.1016/j.bmcl.2010.07.079 | Human immunodeficiency virus 1 | 2 |
| 20727748 | 10.1016/j.bmcl.2010.07.079 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine