Compound Detail
CHEMBL4096993
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Basic Information
| ChEMBL ID | CHEMBL4096993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNIPMJCZUFIMKK-YSBCPJPDSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
429.6
MW (Da)
7.26
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.10
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.17 | 5.905 | 680.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 680.0 | nM | 6.17 | Inhibition of recombinant HIV-1 group M subtype B RT-RNase H activity expressed ... | 28254698 |
| Unchecked | IC50 | = | 2300.0 | nM | 5.64 | 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 | 5 |
Data from ChEMBL 36 via Core Engine