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Compound Detail

CHEMBL5641711

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COc1ccc2c(c1)N(C(=O)CC[C@@H](C)[C@H]1CC[C@H]3[C@@H]4[C@H](O)C[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]13C)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5641711
Phase Preclinical
Structure Type MOL
InChI Key LECIBEDTRQGBRW-DJYBFEKPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

539.8
MW (Da)
4.96
ALogP
5
HBA
3
HBD
90.2
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H49NO5
MW 539.76
Aromatic Rings 1
Heavy Atoms 39
NP-Likeness 1.60

Literature References

PubMed DOI Target Context # Activities
37703709 10.1016/j.ejmech.2023.115788 Clostridioides difficile 2

Data from ChEMBL 36 via Core Engine