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Compound Detail

CHEMBL530115

GUTHION
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COP(=S)(OC)SCn1nnc2ccccc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL530115
Name GUTHION
Phase Preclinical
Structure Type MOL
InChI Key CJJOSEISRRTUQB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

317.3
MW (Da)
2.00
ALogP
8
HBA
0
HBD
66.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H12N3O3PS2
MW 317.33
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
22262512 10.1002/ps.3246 Cydia pomonella 2
31433188 10.1021/acs.jnatprod.9b00563 Acetylcholinesterase 2
18834112 10.1021/jm800656v Amine oxidase [flavin-containing] A 1
18834112 10.1021/jm800656v Amine oxidase [flavin-containing] B 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
31433188 10.1021/acs.jnatprod.9b00563 Danio rerio 1
31433188 10.1021/acs.jnatprod.9b00563 Cholinesterase 1

Data from ChEMBL 36 via Core Engine