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Compound Detail

CHEMBL564375

3-EPIPSEURATA B
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C=C1C(=O)[C@@]23[C@H](O)C[C@@H]4C(C)(C)[C@@H](O)CC[C@@]4(C)[C@@H]2C[C@H](O)[C@@H]1[C@H]3O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL564375
Name 3-EPIPSEURATA B
Phase Preclinical
Structure Type MOL
InChI Key BRNLPJIEDLXFLS-WEMBNSTNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

350.5
MW (Da)
1.04
ALogP
5
HBA
4
HBD
98.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H30O5
MW 350.46
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 3.42

Literature References

PubMed DOI Target Context # Activities
19425589 10.1021/np9000366 NB-4 1
19425589 10.1021/np9000366 A549 1
19425589 10.1021/np9000366 SH-SY5Y 1
19425589 10.1021/np9000366 PC-3 1
19425589 10.1021/np9000366 MCF7 1

Data from ChEMBL 36 via Core Engine