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Compound Detail

CHEMBL5278543

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C[C@@H]1C(=O)O[C@H]2[C@@H]1O[C@]13O[C@@]4(CC[C@]5(C)C(=O)[C@](C)(O)[C@@]2(O)[C@H]15)C[C@]12OC(=O)C[C@H]1OC(C)(C)[C@@H]2C[C@@H]1O[C@@]14C3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5278543
Phase Preclinical
Structure Type MOL
InChI Key DCWOYRAIQOQASA-KZETWOOUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

574.6
MW (Da)
-0.13
ALogP
12
HBA
2
HBD
167.4
PSA (Ų)
0.29
QED
2
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H34O12
MW 574.58
Aromatic Rings 0
Heavy Atoms 41
NP-Likeness 3.58

Literature References

PubMed DOI Target Context # Activities
29353722 10.1016/j.ejmech.2018.01.011 Hepatocyte 1

Data from ChEMBL 36 via Core Engine