Compound Detail
CHEMBL1818945
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Basic Information
| ChEMBL ID | CHEMBL1818945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGXDRRYBXQPKGV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
437.9
MW (Da)
5.09
ALogP
4
HBA
2
HBD
79.5
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.45 | 4.81 | 3580.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 3580.0 | nM | 5.45 | Antiviral activity against wild type HIV1 LAI-3B infected in human C8166 cells a... | 21862337 |
| Human immunodeficiency virus 1 | EC50 | = | 67880.0 | nM | 4.17 | Antiviral activity against HIV1 A17 harboring reverse transcriptase Y181C mutant... | 21862337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21862337 | 10.1016/j.bmc.2011.07.037 | Human immunodeficiency virus 1 | 2 |
| 21862337 | 10.1016/j.bmc.2011.07.037 | C8166 | 1 |
| 21862337 | 10.1016/j.bmc.2011.07.037 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine