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Compound Detail

CHEMBL5186543

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COc1ccc(COC(=O)O[C@@H]2C[C@H]3[C@H](O)/C=C/C(=O)O[C@@H](C)CCC/C=C/[C@@H]3C2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5186543
Phase Preclinical
Structure Type MOL
InChI Key FSFKKUNKYAOIIP-VOISFUKHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
3.73
ALogP
8
HBA
1
HBD
104.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31NO7
MW 445.51
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 1.17

Literature References

PubMed DOI Target Context # Activities
36089748 10.1021/acs.jmedchem.2c00532 HepG2 1

Data from ChEMBL 36 via Core Engine