Compound Detail
CHEMBL122885
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Basic Information
| ChEMBL ID | CHEMBL122885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFOIEUKLMHXAEP-SFYZADRCSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
304.2
MW (Da)
-0.59
ALogP
6
HBA
3
HBD
130.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.41
EC50 2 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
| MT4 CHEMBL388 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.58 | 4.58 | 26000.0 | 1 |
| Human immunodeficiency virus CHEMBL613758 | EC50 | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 390.0 | nM | 6.41 | Inhibition of HIV1 reverse transcriptase | 17562366 |
| Unchecked | IC50 | = | 390.0 | nM | 6.41 | Inhibition of wild type HIV reverse transcriptase | 18029175 |
| MT4 | IC50 | = | 1300.0 | nM | 5.89 | Concentration required for the inhibition of HIV replication by 50% in MT-4 cell... | - |
| Human immunodeficiency virus 1 | IC50 | = | 12000.0 | nM | 4.92 | Antiviral activity against HIV1 infected in human MT4 cells assessed as protecti... | 20833550 |
| Human immunodeficiency virus 1 | EC50 | = | 26000.0 | nM | 4.58 | Inhibition of virus-induced cytopathic effect in wild type HIV 3a infected MT2 c... | 17562366 |
| Human immunodeficiency virus | EC50 | = | 26000.0 | nM | 4.58 | Antiviral activity against wild type HIV | 18029175 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17562366 | 10.1016/j.bmc.2007.05.047 | Human immunodeficiency virus 1 | 4 |
| 18029175 | 10.1016/j.bmcl.2007.10.038 | Human immunodeficiency virus | 4 |
| - | 10.1016/S0960-894X(00)80147-X | MT4 | 1 |
| 17562366 | 10.1016/j.bmc.2007.05.047 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 17562366 | 10.1016/j.bmc.2007.05.047 | MT2 | 1 |
| 18029175 | 10.1016/j.bmcl.2007.10.038 | MT2 | 1 |
| 18029175 | 10.1016/j.bmcl.2007.10.038 | Unchecked | 1 |
| 20833550 | 10.1016/j.bmc.2010.08.037 | Human immunodeficiency virus 1 | 1 |
| 20833550 | 10.1016/j.bmc.2010.08.037 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine