Compound Detail
CHEMBL1909875
AEGELINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1909875 |
| Name | AEGELINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRFDENJATPJOKG-CRVDFBCUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
2.56
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Saccharomyces cerevisiae CHEMBL361 | EC50 | 6.07 | 6.07 | 850.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Saccharomyces cerevisiae | EC50 | = | 850.0 | nM | 6.07 | Protection against copy of c-myc-tagged human bax gene induced toxicity in yeast... | 30579794 |
| Saccharomyces cerevisiae | EC50 | = | 860.0 | nM | 6.07 | Protection against 3-copies of HA-tagged human alpha-syn gene induced toxicity i... | 30579794 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30579794 | 10.1016/j.bmcl.2018.12.028 | Saccharomyces cerevisiae | 13 |
| 17197179 | 10.1016/j.bmcl.2006.12.037 | Hamster | 12 |
| 21930379 | 10.1016/j.bmcl.2011.08.099 | NON-PROTEIN TARGET | 6 |
| 21930379 | 10.1016/j.bmcl.2011.08.099 | Rattus norvegicus | 5 |
| 17197179 | 10.1016/j.bmcl.2006.12.037 | Rattus norvegicus | 2 |
| 17197179 | 10.1016/j.bmcl.2006.12.037 | Unchecked | 2 |
| 28763644 | 10.1016/j.ejmech.2017.07.052 | Plasmodium falciparum | 2 |
| 30579794 | 10.1016/j.bmcl.2018.12.028 | No relevant target | 2 |
| 28763644 | 10.1016/j.ejmech.2017.07.052 | Vero | 1 |
| 28763644 | 10.1016/j.ejmech.2017.07.052 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine