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Compound Detail

CHEMBL189994

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CC(=O)NC(CSC(=O)NCc1ccc(NC(=O)SCC(NC(C)=O)C(=O)O)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL189994
Phase Preclinical
Structure Type MOL
InChI Key HVGXEYFJIOVMRK-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

500.6
MW (Da)
1.07
ALogP
8
HBA
6
HBD
191.0
PSA (Ų)
0.26
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24N4O8S2
MW 500.56
Aromatic Rings 1
Heavy Atoms 33
NP-Likeness -0.34

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
16078841 10.1021/jm050030i Glutathione reductase 1

Data from ChEMBL 36 via Core Engine