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Compound Detail

CHEMBL1307433

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CC1(C)Cc2ccccc2-c2nc(S)nc(O)c21

Basic Information

ChEMBL ID CHEMBL1307433
Phase Preclinical
Structure Type MOL
InChI Key XMYDQZMDMBKIEW-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

258.4
MW (Da)
2.97
ALogP
4
HBA
2
HBD
46.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14N2OS
MW 258.35
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.40

Activity Summary

IC50 2 meas. best 5.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Major prion protein
CHEMBL4869
IC50 5.34 5.34 4555.0 1
Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2
CHEMBL2096976
IC50 5.3 5.3 4964.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine