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Compound Detail

CHEMBL471066

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CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(O)C=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)[C@@]1(C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL471066
Phase Preclinical
Structure Type MOL
InChI Key GKZSILIAFXNPRA-ZQZIRDDUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

514.8
MW (Da)
6.63
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.32
QED
2
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C32H50O5
MW 514.75
Aromatic Rings 0
Heavy Atoms 37
NP-Likeness 3.28

Literature References

PubMed DOI Target Context # Activities
10978197 10.1021/np000069k Polyunsaturated fatty acid 5-lipoxygenase 1

Data from ChEMBL 36 via Core Engine