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Compound Detail

CHEMBL565454

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O=C(CSC(=S)N1CCOCC1)N1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL565454
Phase Preclinical
Structure Type MOL
InChI Key KMGMJBKNCSKWIP-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

290.4
MW (Da)
0.20
ALogP
5
HBA
0
HBD
42.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H18N2O3S2
MW 290.41
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness -1.69

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19883085 10.1021/jm901323s Monoglyceride lipase 2
19883085 10.1021/jm901323s Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine