Compound Detail
CHEMBL1928409
SUBEROSIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1928409 |
| Name | SUBEROSIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSZDAYHEZSRVHS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
244.3
MW (Da)
3.31
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.74 | 4.74 | 18300.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.29 | 4.29 | 51300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 18300.0 | nM | 4.74 | Inhibition of serum-opsonized zymosan-induced oxidative burst in whole blood (un... | 26711890 |
| NON-PROTEIN TARGET | IC50 | = | 51300.0 | nM | 4.29 | Cytotoxicity against human PC3 cells after 3 days by MTT assay | 26711890 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22222157 | 10.1016/j.bmc.2011.12.002 | Beta-secretase 1 | 2 |
| 26711890 | 10.1016/j.bmcl.2015.12.028 | NON-PROTEIN TARGET | 2 |
| 21985060 | 10.1021/np2004825 | Plasmodium falciparum | 1 |
| 21985060 | 10.1021/np2004825 | Leishmania donovani | 1 |
| 21985060 | 10.1021/np2004825 | Trypanosoma brucei brucei | 1 |
| 21985060 | 10.1021/np2004825 | Vero | 1 |
| 23369537 | 10.1016/j.bmcl.2012.12.096 | Mycobacterium tuberculosis | 1 |
| 26711890 | 10.1016/j.bmcl.2015.12.028 | Unchecked | 1 |
| 26711890 | 10.1016/j.bmcl.2015.12.028 | Bacillus subtilis | 1 |
| 26711890 | 10.1016/j.bmcl.2015.12.028 | Staphylococcus aureus | 1 |
| 26711890 | 10.1016/j.bmcl.2015.12.028 | Escherichia coli | 1 |
| 26711890 | 10.1016/j.bmcl.2015.12.028 | Rhizomucor miehei | 1 |
| 26711890 | 10.1016/j.bmcl.2015.12.028 | Candida albicans | 1 |
| 26711890 | 10.1016/j.bmcl.2015.12.028 | Globisporangium ultimum | 1 |
| 26711890 | 10.1016/j.bmcl.2015.12.028 | Rhizoctonia solani | 1 |
Data from ChEMBL 36 via Core Engine