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Compound Detail

CHEMBL3142759

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CC(=O)O[C@H]1[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@H](COC(=O)c2ccccc2)[C@@]12OS(=O)(=O)C=C2N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3142759
Phase Preclinical
Structure Type MOL
InChI Key UXCYJHAMTCUJIT-VWFIUDSGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

507.5
MW (Da)
-0.57
ALogP
12
HBA
2
HBD
186.1
PSA (Ų)
0.39
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N3O10S
MW 507.48
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness 0.56

Literature References

PubMed DOI Target Context # Activities
1501224 10.1021/jm00094a009 MT4 2

Data from ChEMBL 36 via Core Engine