Compound Detail
CHEMBL487724
PREUSSOMERIN C Enter ChEMBL ID:
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CO[C@@H]1CC(=O)c2cccc3c2[C@@]12Oc1ccc(O)c4c1[C@](O3)(O2)[C@@H]1O[C@@H]1[C@@H]4O
Basic Information
| ChEMBL ID | CHEMBL487724 |
| Name | PREUSSOMERIN C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIBXCWWZBPEJSW-MFGAOICXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
1.62
ALogP
8
HBA
2
HBD
107.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BV-2 CHEMBL614781 | IC50 | 5.94 | 5.94 | 1160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BV-2 | IC50 | = | 1160.0 | nM | 5.94 | Inhibition of LPS-induced nitric oxide production in mouse BV2 cells pretreated ... | 27592135 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27592135 | 10.1016/j.bmcl.2016.08.019 | NON-PROTEIN TARGET | 5 |
| 27560695 | 10.1021/acs.jnatprod.6b00639 | NON-PROTEIN TARGET | 5 |
| 18479163 | 10.1021/np800034g | Bursaphelenchus xylophilus | 4 |
| 27592135 | 10.1016/j.bmcl.2016.08.019 | BV-2 | 1 |
| 27560695 | 10.1021/acs.jnatprod.6b00639 | Escherichia coli | 1 |
| 27560695 | 10.1021/acs.jnatprod.6b00639 | Pseudomonas aeruginosa | 1 |
| 27560695 | 10.1021/acs.jnatprod.6b00639 | Bacillus spizizenii | 1 |
| 27560695 | 10.1021/acs.jnatprod.6b00639 | Staphylococcus aureus | 1 |
| 27560695 | 10.1021/acs.jnatprod.6b00639 | Salmonella enteritidis | 1 |
Data from ChEMBL 36 via Core Engine