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Compound Detail

CHEMBL5646564

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C[C@H](CCC(=O)N1Cc2ccccc2C1)[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 CHEMBL5646564
Phase Preclinical
Structure Type MOL
InChI Key DTACLZSIPZIXRZ-XBGXNVSOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

509.7
MW (Da)
4.91
ALogP
4
HBA
3
HBD
81.0
PSA (Ų)
0.54
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H47NO4
MW 509.73
Aromatic Rings 1
Heavy Atoms 37
NP-Likeness 1.71

Literature References

PubMed DOI Target Context # Activities
37703709 10.1016/j.ejmech.2023.115788 Clostridioides difficile 1

Data from ChEMBL 36 via Core Engine