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Compound Detail

CHEMBL3589020

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c1ccc2c(c1)[nH]c1nc3nonc3nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3589020
Phase Preclinical
Structure Type MOL
InChI Key OJANGVKWCFHNAW-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

211.2
MW (Da)
1.65
ALogP
5
HBA
1
HBD
80.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H5N5O
MW 211.18
Aromatic Rings 4
Heavy Atoms 16
NP-Likeness -1.04

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
25985283 10.1021/acs.jmedchem.5b00223 Catenin beta-1 2

Data from ChEMBL 36 via Core Engine