Compound Detail
CHEMBL562080
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Basic Information
| ChEMBL ID | CHEMBL562080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHGDHAVRGLBZQJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
415.6
MW (Da)
3.81
ALogP
6
HBA
3
HBD
103.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribonuclease H1 CHEMBL5893 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.32 | 4.32 | 48000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribonuclease H1 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of human RNase H assessed as substrate cleavage by fluorescence assay | 19791799 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 48000.0 | nM | 4.32 | Inhibition of HIV1 recombinant reverse transcriptase p66/p51 heterodimer in pres... | 19791799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19791799 | 10.1021/jm900597q | Ribonuclease H1 | 1 |
| 19791799 | 10.1021/jm900597q | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 19791799 | 10.1021/jm900597q | Human immunodeficiency virus | 1 |
Data from ChEMBL 36 via Core Engine