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Compound Detail

CHEMBL499563

PETROSASPONGIOLIDE N
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CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@H]3CC[C@@H]4[C@H](OC(C)=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 CHEMBL499563
Name PETROSASPONGIOLIDE N
Phase Preclinical
Structure Type MOL
InChI Key ZSDRTHXMHGHLMW-VEIQJVNDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

518.6
MW (Da)
4.28
ALogP
8
HBA
1
HBD
108.4
PSA (Ų)
0.43
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C29H42O8
MW 518.65
Aromatic Rings 0
Heavy Atoms 37
NP-Likeness 3.17

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