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Compound Detail

CHEMBL1343308

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CCC1(C)Cc2ccccc2-c2nc(S)nc(O)c21

Basic Information

ChEMBL ID CHEMBL1343308
Phase Preclinical
Structure Type MOL
InChI Key ODCHTCODQLEAGG-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

272.4
MW (Da)
3.36
ALogP
4
HBA
2
HBD
46.0
PSA (Ų)
0.62
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 C15H16N2OS
MW 272.37
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.33

Activity Summary

IC50 3 meas. best 5.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Major prion protein
CHEMBL4869
IC50 5.53 5.53 2930.0 1
Photoreceptor-specific nuclear receptor
CHEMBL4374
IC50 5.24 5.24 5775.0 1
Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2
CHEMBL2096976
IC50 5.13 5.13 7364.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine