Compound Detail
CHEMBL280299
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Basic Information
| ChEMBL ID | CHEMBL280299 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEQMPLINYKNVHC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
233.2
MW (Da)
1.85
ALogP
4
HBA
1
HBD
120.2
PSA (Ų)
0.21
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.28 | 5.28 | 5200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of Integrase catalyzed strand transfer (ST) as measured in an in vitr... | 14980666 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of Integrase catalyzed strand transfer (ST) as measured in an in vitr... | 14980666 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14980666 | 10.1016/j.bmcl.2003.12.064 | Human immunodeficiency virus type 1 integrase | 3 |
Data from ChEMBL 36 via Core Engine