Compound Detail
CHEMBL229111
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Basic Information
| ChEMBL ID | CHEMBL229111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFXPNDDHHBWPPZ-SFYZADRCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
306.2
MW (Da)
-0.37
ALogP
6
HBA
3
HBD
130.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.27 | 5.27 | 5400.0 | 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 | = | 5400.0 | nM | 5.27 | Inhibition of HIV1 reverse transcriptase | 17562366 |
| Unchecked | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of wild type HIV reverse transcriptase | 18029175 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17562366 | 10.1016/j.bmc.2007.05.047 | Human immunodeficiency virus 1 | 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 | Human immunodeficiency virus | 1 |
| 18029175 | 10.1016/j.bmcl.2007.10.038 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine