Compound Detail
CHEMBL3330984
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Basic Information
| ChEMBL ID | CHEMBL3330984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJGAGZBIIBGMHM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
4.46
ALogP
7
HBA
1
HBD
88.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.3 | 7.3 | 50.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 50.0 | nM | 7.3 | Antiviral activity against HIV-1 3B infected in human MT4 cells assessed as prot... | 25089812 |
| Human immunodeficiency virus 1 | EC50 | = | 50.0 | nM | 7.3 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as reduc... | 25707013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25089812 | 10.1016/j.ejmech.2014.07.104 | Unchecked | 3 |
| 25089812 | 10.1016/j.ejmech.2014.07.104 | Human immunodeficiency virus 1 | 2 |
| 25089812 | 10.1016/j.ejmech.2014.07.104 | Human immunodeficiency virus 2 | 1 |
| 25089812 | 10.1016/j.ejmech.2014.07.104 | MT4 | 1 |
| 25707013 | 10.1016/j.ejmech.2015.02.022 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine