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Compound Detail

CHEMBL2037352

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Cc1ccc(Cn2c(=O)sn(-c3ccc(C)cc3)c2=O)cc1

Basic Information

ChEMBL ID CHEMBL2037352
Phase Preclinical
Structure Type MOL
InChI Key MZCDQEVWVHEYEQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
2.73
ALogP
5
HBA
0
HBD
44.0
PSA (Ų)
0.75
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 C17H16N2O2S
MW 312.39
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.78

Activity Summary

IC50 2 meas. best 8.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Regulator of G-protein signaling 4
CHEMBL1795091
IC50 8.07 8.07 8.6 1
Regulator of G-protein signaling 8
CHEMBL2034803
IC50 4.94 4.94 11600.0 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