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Compound Detail

CHEMBL479493

NEOTUBEROSTEMONINE
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CC[C@@H]1[C@H]2CCCCN3[C@H]2[C@@H](C[C@H]3[C@@H]2C[C@H](C)C(=O)O2)[C@H]2[C@@H]1OC(=O)[C@H]2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL479493
Name NEOTUBEROSTEMONINE
Phase Preclinical
Structure Type MOL
InChI Key GYOGHROCTSEKDY-UEIGSNQUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

375.5
MW (Da)
3.01
ALogP
5
HBA
0
HBD
55.8
PSA (Ų)
0.69
QED
0
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 C22H33NO4
MW 375.51
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 2.45

Literature References

PubMed DOI Target Context # Activities
15679323 10.1021/np0497043 Unchecked 2
16872143 10.1021/np0505317 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine