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Compound Detail

CHEMBL573921

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C1CCN(SSN2CCCCC2)CC1

Basic Information

ChEMBL ID CHEMBL573921
Phase Preclinical
Structure Type MOL
InChI Key FAEFMMUOKVKFBE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

232.4
MW (Da)
3.17
ALogP
4
HBA
0
HBD
6.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H20N2S2
MW 232.42
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness -0.07

Activity Summary

IC50 1 meas. best 5.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Monoglyceride lipase
CHEMBL4191
IC50 5.02 5.02 9549.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Monoglyceride lipase IC50 = 9549.93 nM 5.02 Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid ... 19883085

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