Compound Detail
CHEMBL5287175
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Basic Information
| ChEMBL ID | CHEMBL5287175 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZHRHLDMVJVVOL-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
446.4
MW (Da)
2.52
ALogP
7
HBA
4
HBD
130.5
PSA (Ų)
0.30
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus CHEMBL613758 | EC50 | 9.05 | 8.7 | 0.9 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus | EC50 | = | 0.9 | nM | 9.05 | Antiviral activity against HIV-1 harboring integrase G140S/Q148H mutant | 34425310 |
| Human immunodeficiency virus | EC50 | = | 1.1 | nM | 8.96 | Antiviral activity against HIV-1 harboring integrase G148H/N155H mutant | 34425310 |
| Human immunodeficiency virus | EC50 | = | 1.3 | nM | 8.89 | Antiviral activity against HIV-1 harboring integrase M50I mutant | 34425310 |
| Human immunodeficiency virus | EC50 | = | 1.6 | nM | 8.8 | Antiviral activity against HIV-1 harboring integrase L74M mutant | 34425310 |
| Human immunodeficiency virus | EC50 | = | 16.0 | nM | 7.8 | Antiviral activity against HIV-1 harboring integrase E138K/Q148K mutant | 34425310 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34425310 | 10.1016/j.ejmech.2021.113787 | Human immunodeficiency virus | 5 |
Data from ChEMBL 36 via Core Engine