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Compound Detail

CHEMBL5178957

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Cc1cncc(C(=O)O[C@@H]2/C=C/C(=O)O[C@@H](C)CCC/C=C/[C@@H]3C[C@H](O)C[C@H]32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5178957
Phase Preclinical
Structure Type MOL
InChI Key TYPXMYPHMOZPEV-GCKLNQGZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.5
MW (Da)
3.53
ALogP
6
HBA
1
HBD
85.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29NO5
MW 399.49
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 1.60

Literature References

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

Data from ChEMBL 36 via Core Engine