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Compound Detail

CHEMBL551316

PSEURATA F
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C=C1C(=O)[C@@]23[C@H](O)C[C@@H]4C(C)(C)[C@@H](OC(C)=O)C[C@H](O)[C@@]4(C)[C@@H]2CC(=O)[C@@H]1[C@H]3O

Basic Information

ChEMBL ID CHEMBL551316
Name PSEURATA F
Phase Preclinical
Structure Type MOL
InChI Key REFIHMWJFFYWEB-WMWOWNBCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
0.79
ALogP
7
HBA
3
HBD
121.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H30O7
MW 406.48
Aromatic Rings 0
Heavy Atoms 29
NP-Likeness 3.20

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