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Compound Detail

CHEMBL3943503

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C/C=C(/C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@]5(O)[C@@H](O)[C@H](O)[C@H]6[C@@H](CN7C[C@@H](C)CC[C@H]7[C@@]6(C)O)[C@@H]5C[C@@]42O[C@@]13O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3943503
Phase Preclinical
Structure Type MOL
InChI Key VZBCOPRNVQLISP-NYQHCPADSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

575.7
MW (Da)
1.73
ALogP
9
HBA
5
HBD
139.9
PSA (Ų)
0.25
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 C32H49NO8
MW 575.74
Aromatic Rings 0
Heavy Atoms 41
NP-Likeness 3.22

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