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Compound Detail

CHEMBL1303255

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N#CC(C#N)=C1NC(N)=C(C#N)C(c2ccccc2)=C1C#N

Basic Information

ChEMBL ID CHEMBL1303255
Phase Preclinical
Structure Type MOL
InChI Key IVKZWBUJRRZZFW-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
1.56
ALogP
6
HBA
2
HBD
133.2
PSA (Ų)
0.75
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 C16H8N6
MW 284.28
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.44

Activity Summary

IC50 3 meas. best 5.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Major prion protein
CHEMBL4869
IC50 5.72 5.72 1919.0 1
Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2
CHEMBL2096976
IC50 5.49 5.49 3221.0 1
Photoreceptor-specific nuclear receptor
CHEMBL4374
IC50 5.08 5.08 8407.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine