Compound Detail
CHEMBL4102151
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Basic Information
| ChEMBL ID | CHEMBL4102151 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXDWMRGZZBQREZ-CUSRYYJFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
444.7
MW (Da)
7.99
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.10
QED
1
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.97 | 4.8 | 10600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 10600.0 | nM | 4.97 | Inhibition of recombinant HIV-1 group M subtype B RT-RNase H activity expressed ... | 28254698 |
| Unchecked | IC50 | = | 23600.0 | nM | 4.63 | Inhibition of wild-type HIV1 RT associated RNA dependent DNA polymerase activity... | 28254698 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28254698 | 10.1016/j.ejmech.2017.02.054 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine