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Compound Detail

CHEMBL1745

METHYLDIETHYL CARBAMODITHIOATE
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CCN(CC)C(=S)SC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1745
Name METHYLDIETHYL CARBAMODITHIOATE
Phase Preclinical
Structure Type MOL
InChI Key JYRXPFCUABYLPD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

163.3
MW (Da)
1.98
ALogP
2
HBA
0
HBD
3.2
PSA (Ų)
0.57
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 C6H13NS2
MW 163.31
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness -1.51

Literature References

PubMed DOI Target Context # Activities
19883085 10.1021/jm901323s Monoglyceride lipase 2
19883085 10.1021/jm901323s Fatty-acid amide hydrolase 1 1
36027862 10.1016/j.ejmech.2022.114641 HepG2 1
36027862 10.1016/j.ejmech.2022.114641 LS174T 1
36027862 10.1016/j.ejmech.2022.114641 Schistosoma mansoni 1

Data from ChEMBL 36 via Core Engine