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Compound Detail

CHEMBL127892

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N[C@@H](Cc1ccccc1)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](c2nc(-c3ccccc3)cs2)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL127892
Phase Preclinical
Structure Type MOL
InChI Key GBXKXGBYXJYVMO-OUJGAGHGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

519.6
MW (Da)
0.92
ALogP
10
HBA
4
HBD
161.1
PSA (Ų)
0.32
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25N3O7S2
MW 519.60
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness 0.21

Literature References

PubMed DOI Target Context # Activities
10091687 10.1016/s0960-894x(98)00738-0 Isoleucine--tRNA ligase, cytoplasmic 1
10091687 10.1016/s0960-894x(98)00738-0 Leucine--tRNA ligase, cytoplasmic 1
10091687 10.1016/s0960-894x(98)00738-0 Alanine--tRNA ligase, cytoplasmic 1

Data from ChEMBL 36 via Core Engine