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Compound Detail

CHEMBL4085159

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CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(COC(C)=O)[C@](O)([C@@](C)(O)[C@H]5CC(C)=C(C)C(=O)O5)CC[C@@]4(O)[C@@H]3C[C@H]3O[C@]32C1

Basic Information

ChEMBL ID CHEMBL4085159
Phase Preclinical
Structure Type MOL
InChI Key AOVJIXFVJBKZSO-RSFWEOHHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

576.7
MW (Da)
2.15
ALogP
10
HBA
3
HBD
152.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H44O10
MW 576.68
Aromatic Rings 0
Heavy Atoms 41
NP-Likeness 3.15

Literature References

PubMed DOI Target Context # Activities
28257574 10.1021/acs.jmedchem.7b00069 ACHN 1

Data from ChEMBL 36 via Core Engine