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Compound Detail

CHEMBL1773737

PESCAPREIN XXI
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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)[C@@H](C)CC)[C@@H](OC(=O)/C=C/c3ccccc3)[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 CHEMBL1773737
Name PESCAPREIN XXI
Phase Preclinical
Structure Type MOL
InChI Key NDKPFZJXDUTDOW-YEMYNBOPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

1381.7
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C72H116O25
MW 1381.69

Literature References

PubMed DOI Target Context # Activities
21338052 10.1021/np100640f NON-PROTEIN TARGET 1
21338052 10.1021/np100640f NCI/ADR-RES 1
34969245 10.1021/acs.jnatprod.1c00649 RPMI-8226 1
34969245 10.1021/acs.jnatprod.1c00649 MM1.S 1
34969245 10.1021/acs.jnatprod.1c00649 Unchecked 1

Data from ChEMBL 36 via Core Engine