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Compound Detail

CHEMBL126919

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N[C@@H](Cc1c[nH]cn1)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 CHEMBL126919
Phase Preclinical
Structure Type MOL
InChI Key HQDKXYMJSZOIDN-CZIOMAOESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

509.6
MW (Da)
-0.36
ALogP
11
HBA
5
HBD
189.8
PSA (Ų)
0.25
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N5O7S2
MW 509.57
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness 0.17

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