Compound Detail
CHEMBL450764
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Basic Information
| ChEMBL ID | CHEMBL450764 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSZLRJMCIIYHJP-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
328.2
MW (Da)
3.67
ALogP
2
HBA
1
HBD
37.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.26
IC50 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.26 | 5.26 | 5496.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 17.0 | nM | 7.77 | Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity a... | 18585918 |
| Human immunodeficiency virus 1 | EC50 | = | 5497.0 | nM | 5.26 | Antiviral activity against HIV1 3B in human MT4 cells assessed as virus-induced ... | 18585918 |
| Human immunodeficiency virus 1 | EC50 | = | 5496.67 | nM | 5.26 | Antiviral activity against Human immunodeficiency virus 1 infected human MT4 cel... | - |
| Human immunodeficiency virus 1 | EC50 | = | 5497.0 | nM | 5.26 | Antiviral activity against Human immunodeficiency virus 1 infected human MT4 cel... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-010-9406-2 | Human immunodeficiency virus 1 | 2 |
| 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