Compound Detail
CHEMBL442414
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Basic Information
| ChEMBL ID | CHEMBL442414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTGGRIAREFSCEG-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
303.3
MW (Da)
1.22
ALogP
7
HBA
0
HBD
83.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.3 | 4.15 | 50000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 50000.0 | nM | 4.3 | Inhibitory concentration against HIV-1 integrase mediated strand transfer reacti... | 15456274 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 100000.0 | nM | 4.0 | Inhibitory concentration against HIV-1 integrase mediated 3' processing reaction | 15456274 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15456274 | 10.1021/jm049944f | Human immunodeficiency virus type 1 integrase | 3 |
| 15456274 | 10.1021/jm049944f | CEM-SS | 1 |
| 15456274 | 10.1021/jm049944f | Human immunodeficiency virus 1 | 1 |
| - | 10.1007/s00044-010-9520-1 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine