Compound Detail
CHEMBL458496
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Basic Information
| ChEMBL ID | CHEMBL458496 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKTBDZTXCXMFAZ-WLZNRRLWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
222.7
MW (Da)
1.74
ALogP
2
HBA
3
HBD
74.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gag polyprotein CHEMBL5824 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Envelope glycoprotein gp70 CHEMBL5825 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gag polyprotein | IC50 | = | 900.0 | nM | 6.05 | Antagonist activity at estrogen receptor alpha expressed in human HEC1 cells ass... | 18976929 |
| Envelope glycoprotein gp70 | IC50 | = | 4600.0 | nM | 5.34 | Inhibition of estradiol-induced coactivator peptide SRC1 binding to estrogen rec... | 18976929 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18976929 | 10.1016/j.bmc.2008.10.007 | Envelope glycoprotein gp160 | 2 |
| 18976929 | 10.1016/j.bmc.2008.10.007 | Gag polyprotein | 1 |
| 18976929 | 10.1016/j.bmc.2008.10.007 | Envelope glycoprotein gp70 | 1 |
Data from ChEMBL 36 via Core Engine