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Compound Detail

CHEMBL189153

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

Basic Information

ChEMBL ID CHEMBL189153
Phase Preclinical
Structure Type MOL
InChI Key FQOXPYMNDYPTJO-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

494.6
MW (Da)
0.61
ALogP
8
HBA
6
HBD
191.0
PSA (Ų)
0.18
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H30N4O8S2
MW 494.59
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 0.03

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