Compound Detail
CHEMBL17211
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Basic Information
| ChEMBL ID | CHEMBL17211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWROELGOZKDRSL-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
502.8
MW (Da)
0.42
ALogP
8
HBA
6
HBD
78.7
PSA (Ų)
0.35
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.47 | 7.385 | 33.7 | 2 |
| Human immunodeficiency virus 2 CHEMBL380 | EC50 | 7.38 | 7.38 | 42.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 33.7 | nM | 7.47 | Effective concentration against HIV-1(IIIB) replication in MT-4 cells | 8568797 |
| Human immunodeficiency virus 2 | EC50 | = | 42.2 | nM | 7.38 | Effective concentration against HIV-2(ROD) replication in MT-4 cells | 8568797 |
| Human immunodeficiency virus 1 | EC50 | = | 50.0 | nM | 7.3 | Antiviral activity against HIV1 LAV in PBMC | 17000109 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7562918 | 10.1021/jm00019a017 | Human immunodeficiency virus 1 | 2 |
| 17000109 | 10.1016/j.bmcl.2006.08.114 | Human immunodeficiency virus 1 | 2 |
| 8568797 | 10.1021/jm950584t | Human immunodeficiency virus 1 | 1 |
| 8568797 | 10.1021/jm950584t | Human immunodeficiency virus 2 | 1 |
| 8568797 | 10.1021/jm950584t | MT4 | 1 |
| 7562918 | 10.1021/jm00019a017 | Human immunodeficiency virus | 1 |
| 7562918 | 10.1021/jm00019a017 | HuT78 | 1 |
| 17000109 | 10.1016/j.bmcl.2006.08.114 | PBMC | 1 |
| 18024032 | 10.1016/j.bmcl.2007.10.112 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine