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Compound Detail

CHEMBL1489869

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Cc1ccc(-n2nc3c(S)nnc(C)c3c2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1489869
Phase Preclinical
Structure Type MOL
InChI Key KCGYRJGFRLIWJP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

270.4
MW (Da)
3.03
ALogP
5
HBA
1
HBD
43.6
PSA (Ų)
0.69
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 C14H14N4S
MW 270.36
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.86

Activity Summary

IC50 1 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Major prion protein
CHEMBL4869
 IC50 6.85 6.85 142.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Major prion protein IC50 = 142.56 nM 6.85 PubChem BioAssay. TRFRET-based cell-based high throughput dose response assay to... -

Data from ChEMBL 36 via Core Engine