Compound Detail
CHEMBL469030
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Basic Information
| ChEMBL ID | CHEMBL469030 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSGYFVXRMJGVRZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
4.18
ALogP
5
HBA
1
HBD
72.0
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.05 | 7.325 | 9.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 9.0 | nM | 8.05 | Antiviral activity against HIV1 NL4-3 in human MT4 cells assessed as inhibition ... | 18630898 |
| Human immunodeficiency virus 1 | EC50 | = | 250.0 | nM | 6.6 | Antiviral activity against HIV1 isolates with reverse transcriptase Y181C mutati... | 18630898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18630898 | 10.1021/jm800340w | Human immunodeficiency virus 1 | 5 |
| 18630898 | 10.1021/jm800340w | Human immunodeficiency virus type 1 reverse transcriptase | 4 |
| 18630898 | 10.1021/jm800340w | Unchecked | 3 |
| 18630898 | 10.1021/jm800340w | MT4 | 1 |
Data from ChEMBL 36 via Core Engine