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Compound Detail

CHEMBL5639181

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C[C@H](CCC(=O)N1CCc2cc(Br)ccc2C1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5639181
Phase Preclinical
Structure Type MOL
InChI Key DOSJBAKGSQAUHE-RLYVYUNFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

602.6
MW (Da)
5.71
ALogP
4
HBA
3
HBD
81.0
PSA (Ų)
0.41
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H48BrNO4
MW 602.65
Aromatic Rings 1
Heavy Atoms 39
NP-Likeness 1.44

Literature References

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

Data from ChEMBL 36 via Core Engine