Compound Detail
CHEMBL524298
PESCAPREIN IV Enter ChEMBL ID:
Free Research Context
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CCCCCCCCCCCC(=O)O[C@H]1[C@H](O[C@@H]2[C@H]3OC(=O)CCCCCCCCC[C@H](CCCCC)O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O[C@H](O[C@H]2C)[C@@H]3O)O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(=O)CCCCC)[C@@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL524298 |
| Name | PESCAPREIN IV |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLSDUCMOFKMYAW-OVRXSPRISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1265.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RPMI-8226 CHEMBL614882 | IC50 | 4.97 | 4.97 | 10800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RPMI-8226 | IC50 | = | 10800.0 | nM | 4.97 | Antiproliferative activity against human RPMI 8226 cells assessed as reduction i... | 34969245 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15730248 | 10.1021/np0496340 | NON-PROTEIN TARGET | 4 |
| 34969245 | 10.1021/acs.jnatprod.1c00649 | MM1.S | 2 |
| 34969245 | 10.1021/acs.jnatprod.1c00649 | Unchecked | 2 |
| 34969245 | 10.1021/acs.jnatprod.1c00649 | RPMI-8226 | 1 |
Data from ChEMBL 36 via Core Engine