Compound Detail
CHEMBL108253
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Basic Information
| ChEMBL ID | CHEMBL108253 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJGMBFCAJFNIBI-GDNBJRDFSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
2.82
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 6.46 | 5.2775 | 350.0 | 4 |
| Unchecked CHEMBL612545 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 350.0 | nM | 6.46 | Inhibitory effect on strand transfer of proximal DNA into host DNA in an extrace... | 12109903 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 350.0 | nM | 6.46 | Strand transfer inhibitory activity against HIV-1 integrase | 16250669 |
| Unchecked | IC50 | = | 600.0 | nM | 6.22 | Inhibitory concentration by single cycle replication assay using envelope defici... | 12109903 |
| RNA-directed RNA polymerase | IC50 | = | 8000.0 | nM | 5.1 | Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as rad... | 16190757 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 65000.0 | nM | 4.19 | Inhibitory effect on 3'-processing(3'-P) of proximal DNA in an extracellular HIV... | 12109903 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 100000.0 | nM | 4.0 | Inhibitory effect on 3'-processing(3'-P) of proximal DNA in an extracellular HIV... | 12109903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12109903 | 10.1021/jm020037p | Human immunodeficiency virus type 1 integrase | 3 |
| 12109903 | 10.1021/jm020037p | NON-PROTEIN TARGET | 2 |
| 12109903 | 10.1021/jm020037p | Unchecked | 1 |
| 16250669 | 10.1021/jm050549e | Human immunodeficiency virus type 1 integrase | 1 |
| 16190757 | 10.1021/jm0504454 | RNA-directed RNA polymerase | 1 |
Data from ChEMBL 36 via Core Engine