Compound Detail
CHEMBL4081492
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Basic Information
| ChEMBL ID | CHEMBL4081492 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRBAENRTRTWLKA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
3.17
ALogP
6
HBA
2
HBD
107.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.33 | 4.33 | 47000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 47000.0 | nM | 4.33 | Antiviral activity against wild type HIV1 3B infected in human MT4 cells assesse... | 28659246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28659246 | 10.1016/j.bmc.2017.06.022 | Human immunodeficiency virus 1 | 2 |
| 28659246 | 10.1016/j.bmc.2017.06.022 | Unchecked | 1 |
| 28659246 | 10.1016/j.bmc.2017.06.022 | MT4 | 1 |
| 28659246 | 10.1016/j.bmc.2017.06.022 | Human immunodeficiency virus 2 | 1 |
Data from ChEMBL 36 via Core Engine