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Compound Detail

CHEMBL3559783

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CCOC(=O)C(N)CS

Basic Information

ChEMBL ID CHEMBL3559783
Phase Preclinical
Structure Type MOL
InChI Key YVKSGVDJQXLXDV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

149.2
MW (Da)
-0.19
ALogP
4
HBA
2
HBD
52.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C5H11NO2S
MW 149.22
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness 0.06

Activity Summary

IC50 1 meas. best 4.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.84 4.84 14344.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 14344.2 nM 4.84 PubChem BioAssay. GLP1 secretion from STC-1 cells-IC50. (Class of assay: confi... -

Data from ChEMBL 36 via Core Engine