Compound Detail
CHEMBL82106
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL82106 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOOPOWYYIWBIBA-UHFFFAOYSA-N |
3
Targets
8
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
348.8
MW (Da)
3.06
ALogP
3
HBA
2
HBD
93.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 9.0
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 9.0 | 9.0 | 1.0 | 2 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| MT4 CHEMBL388 | EC50 | 9.0 | 8.61 | 1.0 | 2 |
| C8166 CHEMBL614533 | EC50 | 8.3 | 6.68 | 5.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 1.0 | nM | 9.0 | Anti-HIV activity protecting MT-4 cells from HIV-1 induced cytopathogenicity | 12773052 |
| MT4 | EC50 | = | 1.0 | nM | 9.0 | Protection of infected MT-4 cells from wtIIIB-HIV-1-induced cytopathogenicity | 15634015 |
| Human immunodeficiency virus 1 | EC50 | = | 1.0 | nM | 9.0 | Antiviral activity against HIV1 | 16722636 |
| Human immunodeficiency virus 1 | IC50 | = | 1.0 | nM | 9.0 | Antiviral activity against HIV1 | 19112024 |
| C8166 | EC50 | = | 5.0 | nM | 8.3 | Anti-HIV activity to reduce the amount of p24 in WT IIIB infected C8166 cells | 12773052 |
| MT4 | EC50 | = | 6.0 | nM | 8.22 | Anti-HIV activity to protect MT-4 cells from HIV-1 induced cytopathogenicity by ... | 12773052 |
| C8166 | EC50 | = | 260.0 | nM | 6.58 | Anti-HIV activity to reduce the amount of p24 in C8166 cells infected with efavi... | 12773052 |
| C8166 | EC50 | = | 7000.0 | nM | 5.16 | Anti-HIV activity to reduce the amount of p24 in C8166 cells infected with efavi... | 12773052 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12773052 | 10.1021/jm0211063 | C8166 | 3 |
| 12773052 | 10.1021/jm0211063 | MT4 | 2 |
| 12773052 | 10.1021/jm0211063 | Human immunodeficiency virus 1 | 2 |
| 15634015 | 10.1021/jm040854k | MT4 | 1 |
| 16722636 | 10.1021/jm0512490 | Human immunodeficiency virus 1 | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine