Compound Detail
CHEMBL84372
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Basic Information
| ChEMBL ID | CHEMBL84372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPMBQECINMAVLX-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
413.3
MW (Da)
3.94
ALogP
6
HBA
1
HBD
91.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.08
IC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.08 | 5.08 | 8300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 4000.0 | nM | 5.4 | Antiviral activity against HIV1 | 19112024 |
| Human immunodeficiency virus 1 | EC50 | = | 8300.0 | nM | 5.08 | Anti-HIV activity protecting MT-4 cells from HIV-1 induced cytopathogenicity | 12773052 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12773052 | 10.1021/jm0211063 | Human immunodeficiency virus 1 | 2 |
| 12773052 | 10.1021/jm0211063 | MT4 | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine