Compound Detail
CHEMBL454190
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O=C(CC(=O)c1cccc(OCc2ccccc2)c1)C(=O)NC1CCN(C(=O)C(=O)CC(=O)c2cccc(OCc3ccccc3)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL454190 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDTQJBWYCGLIIL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
660.7
MW (Da)
4.94
ALogP
8
HBA
1
HBD
136.2
PSA (Ų)
0.11
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 23000.0 | nM | 4.64 | Inhibition of wild-type HIV1 integrase 3'-processing activity using [32P]-labele... | 18644730 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18644730 | 10.1016/j.bmc.2008.07.008 | Human immunodeficiency virus type 1 integrase | 2 |
Data from ChEMBL 36 via Core Engine