Compound Detail
CHEMBL2316111
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Basic Information
| ChEMBL ID | CHEMBL2316111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTWKEOPOJIKGNC-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
448.5
MW (Da)
0.98
ALogP
6
HBA
3
HBD
132.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Human immunodeficiency virus CHEMBL613758 | IC50 | 8.05 | 7.68 | 9.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 4.0 | nM | 8.4 | Inhibition of HIV1 integrase strand transfer activity | 23245515 |
| Human immunodeficiency virus | IC50 | = | 9.0 | nM | 8.05 | Antiviral activity against HIV | 23245515 |
| Human immunodeficiency virus | IC50 | = | 49.0 | nM | 7.31 | Antiviral activity against HIV in presence of 40 mg/mL of purified human serum a... | 23245515 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23245515 | 10.1016/j.bmcl.2012.11.071 | Human immunodeficiency virus | 2 |
| 23245515 | 10.1016/j.bmcl.2012.11.071 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine