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Compound Detail

CHEMBL5278330

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C/C=C(/C)C(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)OC)[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5278330
Phase Preclinical
Structure Type MOL
InChI Key BYULTWMIZDJPPV-PXDRQHRRSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
1.86
ALogP
7
HBA
1
HBD
105.1
PSA (Ų)
0.21
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H33NO7
MW 411.50
Aromatic Rings 0
Heavy Atoms 29
NP-Likeness 2.55

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
33454546 10.1016/j.ejmech.2021.113165 RAW264.7 1

Data from ChEMBL 36 via Core Engine