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Compound Detail

CHEMBL1501734

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Cc1ccc(-n2c(=S)[nH]c3c(oc4ccccc43)c2=O)cc1

Basic Information

ChEMBL ID CHEMBL1501734
Phase Preclinical
Structure Type MOL
InChI Key LCFRXYNGFSBFGV-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
4.10
ALogP
4
HBA
1
HBD
50.9
PSA (Ų)
0.54
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 C17H12N2O2S
MW 308.36
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -0.96

Activity Summary

IC50 2 meas. best 5.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Photoreceptor-specific nuclear receptor
CHEMBL4374
IC50 5.32 5.32 4746.0 1
Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2
CHEMBL2096976
IC50 5.18 5.18 6544.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine