Compound Detail
CHEMBL4089987
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Basic Information
| ChEMBL ID | CHEMBL4089987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGUJBSSRUYPDQD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
289.2
MW (Da)
2.55
ALogP
3
HBA
1
HBD
57.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.82 | 5.21 | 1500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of full length HIV RT-RNase H activity using 18-nucleotide 3'-fluores... | 28384548 |
| Unchecked | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of full length HIV reverse transcriptase polymerase activity | 28384548 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28384548 | 10.1016/j.ejmech.2017.03.059 | Unchecked | 2 |
| 28384548 | 10.1016/j.ejmech.2017.03.059 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine