Compound Detail
CHEMBL444417
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Basic Information
| ChEMBL ID | CHEMBL444417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZJKJQLKBFSCNM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
310.8
MW (Da)
4.68
ALogP
2
HBA
1
HBD
20.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.8 | 6.8 | 160.0 | 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 | = | 160.0 | nM | 6.8 | Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity a... | 18585918 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18585918 | 10.1016/j.bmc.2008.06.012 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 18585918 | 10.1016/j.bmc.2008.06.012 | Human immunodeficiency virus 1 | 1 |
| 18585918 | 10.1016/j.bmc.2008.06.012 | MT4 | 1 |
| 18585918 | 10.1016/j.bmc.2008.06.012 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine