Compound Detail
CHEMBL440706
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Basic Information
| ChEMBL ID | CHEMBL440706 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBIGIFDASWZFBJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
444.6
MW (Da)
5.47
ALogP
6
HBA
1
HBD
72.3
PSA (Ų)
0.22
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 45.0 | nM | 7.35 | Concentration required to protect the cell against HIV-1 strain IIIB viral cytop... | 15149669 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15149669 | 10.1016/j.bmcl.2004.04.008 | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 15149669 | 10.1016/j.bmcl.2004.04.008 | MT4 | 2 |
Data from ChEMBL 36 via Core Engine