Compound Detail
CHEMBL557770
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Basic Information
| ChEMBL ID | CHEMBL557770 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGJTVOPRVYITGY-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
317.3
MW (Da)
2.23
ALogP
5
HBA
2
HBD
100.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.72 | 5.72 | 1900.0 | 2 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.5 | 5.5 | 3200.0 | 2 |
| Ribonuclease H1 CHEMBL5893 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of strand transfer activity of recombinant HIV1 integrase using 5'-en... | 24124919 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of HIV-1 integrase strand transfer activity by gel-based assay | 25629256 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of RNase H activity of recombinant HIV1 reverse transcriptase using p... | 24124919 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of HIV-1 recombinant RT-associted RNase H activity expressed in Esche... | 25629256 |
| Ribonuclease H1 | IC50 | = | 6500.0 | nM | 5.19 | Inhibition of human RNase H assessed as substrate cleavage by fluorescence assay | 19791799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24124919 | 10.1021/jm401040b | Human immunodeficiency virus 1 | 2 |
| 19791799 | 10.1021/jm900597q | Ribonuclease H1 | 1 |
| 19791799 | 10.1021/jm900597q | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 24124919 | 10.1021/jm401040b | Human immunodeficiency virus type 1 integrase | 1 |
| 24124919 | 10.1021/jm401040b | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 25629256 | 10.1021/jm501799k | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 25629256 | 10.1021/jm501799k | Human immunodeficiency virus type 1 integrase | 1 |
| 25629256 | 10.1021/jm501799k | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine