Compound Detail
CHEMBL572124
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Basic Information
| ChEMBL ID | CHEMBL572124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQQYBZYFFRDXNT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
355.1
MW (Da)
1.95
ALogP
6
HBA
3
HBD
112.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribonuclease H1 CHEMBL5893 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.16 | 4.16 | 70000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribonuclease H1 | IC50 | = | 900.0 | nM | 6.05 | Inhibition of human RNase H assessed as substrate cleavage by fluorescence assay | 19791799 |
| Unchecked | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of HIV reverse transcriptase RNase H activity | 31324562 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 70000.0 | nM | 4.16 | 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 |
| 31324562 | 10.1016/j.bmc.2019.07.011 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine