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Compound Detail

CHEMBL2037358

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Cc1ccc(-n2sc(=O)n(C)c2=O)cc1

Basic Information

ChEMBL ID CHEMBL2037358
Phase Preclinical
Structure Type MOL
InChI Key SRQDFJWUQYCRNM-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

222.3
MW (Da)
0.91
ALogP
5
HBA
0
HBD
44.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H10N2O2S
MW 222.27
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.91

Activity Summary

IC50 2 meas. best 7.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Regulator of G-protein signaling 4
CHEMBL1795091
IC50 7.72 7.72 18.9 1
Regulator of G-protein signaling 8
CHEMBL2034803
IC50 5.08 5.08 8400.0 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