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Compound Detail

CHEMBL514134

PETROSASPONGIOLIDE R
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CC1(C)CCC[C@]2(C)[C@H]3CC[C@H](C(=O)O)[C@@H](/C=C/C4=CC(=O)OC4O)[C@]3(C)CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL514134
Name PETROSASPONGIOLIDE R
Phase Preclinical
Structure Type MOL
InChI Key QBUNBRGDEZXPAU-AWZKHZQNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

416.6
MW (Da)
4.70
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.65
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 C25H36O5
MW 416.56
Aromatic Rings 0
Heavy Atoms 30
NP-Likeness 2.87

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