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Compound Detail

CHEMBL514471

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CC(=O)OC1OC(=O)C=C1[C@H]1C[C@@H]2[C@H](CCC3[C@@]4(C)CCCC(C)(C)C4CC[C@]32C)[C@@H](OC(C)=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL514471
Phase Preclinical
Structure Type MOL
InChI Key MZXCAKUNUVJPJS-RYYLEPEISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

502.6
MW (Da)
5.31
ALogP
7
HBA
0
HBD
88.1
PSA (Ų)
0.48
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C29H42O7
MW 502.65
Aromatic Rings 0
Heavy Atoms 36
NP-Likeness 2.96

Literature References

PubMed DOI Target Context # Activities
9599251 10.1021/np9704922 Phospholipase A2 4
9599251 10.1021/np9704922 Acidic phospholipase A2 2 1
9599251 10.1021/np9704922 Unchecked 1

Data from ChEMBL 36 via Core Engine