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Compound Detail

CHEMBL3914058

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CC(=O)O[C@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)C1=NC[C@H](C)CC1

Basic Information

ChEMBL ID CHEMBL3914058
Phase Preclinical
Structure Type MOL
InChI Key HVBLJFJOQGJVJC-XPZNRZGTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

617.8
MW (Da)
3.80
ALogP
9
HBA
4
HBD
138.0
PSA (Ų)
0.26
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C35H55NO8
MW 617.82
Aromatic Rings 0
Heavy Atoms 44
NP-Likeness 2.68

Literature References

PubMed DOI Target Context # Activities
27567371 10.1016/j.bmcl.2016.08.040 Molecular identity unknown 1

Data from ChEMBL 36 via Core Engine