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Compound Detail

CHEMBL474674

PETROSASPONGIOLIDE Q
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CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@H]3CC[C@@H]4[C@H](O)O[C@@H](C5=CC(=O)OC5O)C[C@H]4[C@]3(C)CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL474674
Name PETROSASPONGIOLIDE Q
Phase Preclinical
Structure Type MOL
InChI Key YKDMAPXQYQSVFF-RVWZRQGNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

476.6
MW (Da)
3.71
ALogP
7
HBA
2
HBD
102.3
PSA (Ų)
0.60
QED
0
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 C27H40O7
MW 476.61
Aromatic Rings 0
Heavy Atoms 34
NP-Likeness 3.22

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