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Compound Detail

CHEMBL3933385

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On1ncc2cc(NCc3nn[nH]n3)ccc21

Basic Information

ChEMBL ID CHEMBL3933385
Phase Preclinical
Structure Type MOL
InChI Key ZFVZZHFDFFZYPO-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

231.2
MW (Da)
0.40
ALogP
7
HBA
3
HBD
104.5
PSA (Ų)
0.56
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 C9H9N7O
MW 231.22
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -1.84

Activity Summary

Ki 2 meas. best 5.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Catenin beta-1
CHEMBL5866
Ki 5.47 5.47 3380.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine