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Compound Detail

CHEMBL5202434

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CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@H]2O[C@](C)(O)CC3(CC3)[C@@H]2O)O[C@@H]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5202434
Phase Preclinical
Structure Type MOL
InChI Key GWYDRJSEWGECLT-VRAKOPSTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

505.6
MW (Da)
3.32
ALogP
7
HBA
3
HBD
114.3
PSA (Ų)
0.26
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H43NO7
MW 505.65
Aromatic Rings 0
Heavy Atoms 36
NP-Likeness 2.59

Literature References

PubMed DOI Target Context # Activities
33974423 10.1021/acs.jnatprod.1c00100 Unchecked 1

Data from ChEMBL 36 via Core Engine