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Compound Detail

CHEMBL3940134

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O=c1[nH]c(CCc2ccc3c(cnn3O)c2)no1

Basic Information

ChEMBL ID CHEMBL3940134
Phase Preclinical
Structure Type MOL
InChI Key LQSZWBBCHDUGGI-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

246.2
MW (Da)
0.74
ALogP
6
HBA
2
HBD
96.9
PSA (Ų)
0.66
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 C11H10N4O3
MW 246.23
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.97

Activity Summary

Ki 2 meas. best 4.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Catenin beta-1
CHEMBL5866
Ki 4.01 4.01 97700.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine