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Compound Detail

CHEMBL2037362

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CCCCn1c(=O)sn(-c2ccc(C)cc2)c1=O

Basic Information

ChEMBL ID CHEMBL2037362
Phase Preclinical
Structure Type MOL
InChI Key YIFYVSULKGSGIO-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

264.4
MW (Da)
2.17
ALogP
5
HBA
0
HBD
44.0
PSA (Ų)
0.85
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 C13H16N2O2S
MW 264.35
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.97

Activity Summary

IC50 2 meas. best 7.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Regulator of G-protein signaling 4
CHEMBL1795091
IC50 7.71 7.71 19.7 1
Regulator of G-protein signaling 8
CHEMBL2034803
IC50 5.02 5.02 9500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
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 Unchecked 1

Data from ChEMBL 36 via Core Engine