Compound Detail
CHEMBL2418596
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Basic Information
| ChEMBL ID | CHEMBL2418596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUGDUKZJJVDKLL-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
495.5
MW (Da)
4.17
ALogP
9
HBA
2
HBD
108.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.8 | 7.4667 | 1.6 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 1.6 | nM | 8.8 | Antiviral activity against wild type HIV1 3B infected in human MT2 cells assesse... | 23937980 |
| Human immunodeficiency virus 1 | EC50 | = | 50.0 | nM | 7.3 | Antiviral activity against HIV1 3B harboring reverse transcriptase K103N/Y181C d... | 23937980 |
| Human immunodeficiency virus 1 | EC50 | = | 500.0 | nM | 6.3 | Antiviral activity against HIV1 3B harboring reverse transcriptase Y181C mutant ... | 23937980 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23937980 | 10.1016/j.bmcl.2013.06.091 | Human immunodeficiency virus 1 | 3 |
| 23937980 | 10.1016/j.bmcl.2013.06.091 | MT2 | 1 |
Data from ChEMBL 36 via Core Engine