Compound Detail
CHEMBL512817
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Basic Information
| ChEMBL ID | CHEMBL512817 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYBYRGJWETWDKN-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
402.9
MW (Da)
4.44
ALogP
4
HBA
1
HBD
62.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.35 | 6.05 | 45.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 45.0 | nM | 7.35 | Antiviral activity against HIV1 NL4-3 in human MT4 cells assessed as inhibition ... | 18630898 |
| Human immunodeficiency virus 1 | EC50 | = | 1680.0 | nM | 5.78 | Antiviral activity against HIV1 isolates with reverse transcriptase Y181C mutati... | 18630898 |
| Human immunodeficiency virus 1 | EC50 | = | 9480.0 | nM | 5.02 | Antiviral activity against HIV1 isolates with reverse transcriptase K103N mutati... | 18630898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18630898 | 10.1021/jm800340w | Human immunodeficiency virus 1 | 6 |
| 18630898 | 10.1021/jm800340w | Unchecked | 4 |
| 18630898 | 10.1021/jm800340w | Human immunodeficiency virus type 1 reverse transcriptase | 4 |
| 18630898 | 10.1021/jm800340w | MT4 | 1 |
Data from ChEMBL 36 via Core Engine