Compound Detail
CHEMBL4214858
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Basic Information
| ChEMBL ID | CHEMBL4214858 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGTOMOVTUKXXHV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
509.6
MW (Da)
4.41
ALogP
8
HBA
1
HBD
107.4
PSA (Ų)
0.29
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.8 | 4.8 | 15670.0 | 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 | = | 15670.0 | nM | 4.8 | Inhibition of recombinant wild-type HIV-1 3B reverse transcriptase p66/p51 RNA-d... | 29291935 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29291935 | 10.1016/j.bmc.2017.12.033 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 29291935 | 10.1016/j.bmc.2017.12.033 | Human immunodeficiency virus 1 | 1 |
| 29291935 | 10.1016/j.bmc.2017.12.033 | MT4 | 1 |
| 29291935 | 10.1016/j.bmc.2017.12.033 | Unchecked | 1 |
| 29291935 | 10.1016/j.bmc.2017.12.033 | Human immunodeficiency virus 2 | 1 |
Data from ChEMBL 36 via Core Engine