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Compound Detail

CHEMBL2386654

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CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2386654
Phase Preclinical
Structure Type MOL
InChI Key PAIBKVQNJKUVCE-JUENUIDLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

486.7
MW (Da)
6.30
ALogP
3
HBA
3
HBD
94.8
PSA (Ų)
0.40
QED
1
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 C30H46O5
MW 486.69
Aromatic Rings 0
Heavy Atoms 35
NP-Likeness 3.15

Literature References

PubMed DOI Target Context # Activities
31774676 10.1021/acs.jnatprod.9b00538 Polyunsaturated fatty acid 5-lipoxygenase 2
31774676 10.1021/acs.jnatprod.9b00538 Polyunsaturated fatty acid lipoxygenase ALOX15B 2
31774676 10.1021/acs.jnatprod.9b00538 Prostaglandin G/H synthase 1 2
31774676 10.1021/acs.jnatprod.9b00538 Prostaglandin G/H synthase 2 2
23662817 10.1021/jm301910a Hepatitis C virus 1

Data from ChEMBL 36 via Core Engine