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Compound Detail

CHEMBL569414

(DIETHYLCARBAMOYL)METHYLENE DIETHYLCARBAMODITHIOATE
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CCN(CC)C(=O)CSC(=S)N(CC)CC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL569414
Name (DIETHYLCARBAMOYL)METHYLENE DIETHYLCARBAMODITHIOATE
Phase Preclinical
Structure Type MOL
InChI Key BBCRMJDJXWPTIG-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

262.4
MW (Da)
2.21
ALogP
3
HBA
0
HBD
23.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H22N2OS2
MW 262.44
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness -1.50

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19883085 10.1021/jm901323s Monoglyceride lipase 2
32711108 10.1016/j.ejmech.2020.112500 Fructose-1,6-bisphosphatase 1 2
19883085 10.1021/jm901323s Fatty-acid amide hydrolase 1 1
33756126 10.1016/j.ejmech.2021.113379 D-3-phosphoglycerate dehydrogenase 1

Data from ChEMBL 36 via Core Engine