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Compound Detail

CHEMBL1538068

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CCOc1ccc(-n2nc3c(S)nnc(C)c3c2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1538068
Phase Preclinical
Structure Type MOL
InChI Key SSSYEWMEKZAAPX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
3.12
ALogP
6
HBA
1
HBD
52.8
PSA (Ų)
0.76
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 C15H16N4OS
MW 300.39
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.86

Activity Summary

IC50 1 meas. best 6.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Major prion protein
CHEMBL4869
 IC50 6.49 6.49 320.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Major prion protein IC50 = 320.71 nM 6.49 PubChem BioAssay. TRFRET-based cell-based high throughput dose response assay to... -

Data from ChEMBL 36 via Core Engine