Compound Detail
CHEMBL4076949
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Basic Information
| ChEMBL ID | CHEMBL4076949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPIOFONJRYTCQB-MDZDMXLPSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
359.8
MW (Da)
3.29
ALogP
5
HBA
0
HBD
65.4
PSA (Ų)
0.31
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.14 | 5.07 | 7300.0 | 2 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.06 | 5.06 | 8700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 7300.0 | nM | 5.14 | Inhibition of HIV reverse transcriptase RNase H activity | 31324562 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 8700.0 | nM | 5.06 | Inhibition of wild type HIV-1 reverse transcriptase RNase-associated RNase H act... | 37336083 |
| Unchecked | IC50 | = | 10100.0 | nM | 5.0 | Inhibition of recombinant HIV-1 group M subtype B RT-RNase H activity expressed ... | 28254698 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28254698 | 10.1016/j.ejmech.2017.02.054 | Unchecked | 2 |
| 31324562 | 10.1016/j.bmc.2019.07.011 | Unchecked | 1 |
| 37336083 | 10.1016/j.bmc.2023.117376 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine