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Compound Detail

CHEMBL519412

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CC(=O)O[C@@H]1[C@H]2O[C@]23[C@@H]2CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]2CC[C@]3(C)[C@H]1[C@]12C=CC(=O)O[C@H]1O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL519412
Phase Preclinical
Structure Type MOL
InChI Key TVGUACBVECECAJ-YXMSEVLOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

458.6
MW (Da)
2.89
ALogP
7
HBA
1
HBD
97.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H34O7
MW 458.55
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness 3.46

Literature References

PubMed DOI Target Context # Activities
15620253 10.1021/np049950e MH60 2

Data from ChEMBL 36 via Core Engine