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Compound Detail

CHEMBL24773

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CCCCn1c(=O)sn(CC)c1=O

Basic Information

ChEMBL ID CHEMBL24773
Phase Preclinical
Structure Type MOL
InChI Key WTFFYZGCISALRI-UHFFFAOYSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

202.3
MW (Da)
0.89
ALogP
5
HBA
0
HBD
44.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H14N2O2S
MW 202.28
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.72

Activity Summary

IC50 4 meas. best 7.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Regulator of G-protein signaling 4
CHEMBL1795091
IC50 7.84 7.84 14.4 1
Glycogen synthase kinase-3 beta
CHEMBL262
IC50 4.16 4.16 70000.0 2
Regulator of G-protein signaling 8
CHEMBL2034803
IC50 4.08 4.08 83500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22368763 10.1021/ml200263y Unchecked 2
11881998 10.1021/jm011020u Glycogen synthase kinase-3 beta 1
22368763 10.1021/ml200263y Regulator of G-protein signaling 4 1
22368763 10.1021/ml200263y Regulator of G-protein signaling 8 1
22368763 10.1021/ml200263y Muscarinic acetylcholine receptor M3 1
22368763 10.1021/ml200263y No relevant target 1
22368763 10.1021/ml200263y Glycogen synthase kinase-3 beta 1

Data from ChEMBL 36 via Core Engine