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Compound Detail

CHEMBL465497

EXODECONOLIDE A
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CC1=C(C)C(=O)O[C@@H](/C(C)=C2\[C@@H](O)C[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL465497
Name EXODECONOLIDE A
Phase Preclinical
Structure Type MOL
InChI Key YARITIRBZOEIHO-PLYJTDRGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

468.6
MW (Da)
3.42
ALogP
6
HBA
2
HBD
96.4
PSA (Ų)
0.35
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 C28H36O6
MW 468.59
Aromatic Rings 0
Heavy Atoms 34
NP-Likeness 3.32

Literature References

PubMed DOI Target Context # Activities
12027740 10.1021/np0106337 Unchecked 2
12027740 10.1021/np0106337 Quinone oxidoreductase 2
12027740 10.1021/np0106337 ADMET 1

Data from ChEMBL 36 via Core Engine