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Compound Detail

CHEMBL1910838

NIPPONOGENIN E
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C[C@@]1(CO)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1910838
Name NIPPONOGENIN E
Phase Preclinical
Structure Type MOL
InChI Key LQETVSULLNKTKF-LYABJINESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

488.7
MW (Da)
5.18
ALogP
4
HBA
4
HBD
98.0
PSA (Ų)
0.41
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H48O5
MW 488.71
Aromatic Rings 0
Heavy Atoms 35
NP-Likeness 3.19

Literature References

PubMed DOI Target Context # Activities
21870831 10.1021/np200382s Unchecked 1

Data from ChEMBL 36 via Core Engine