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Compound Detail

CHEMBL187951

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Nc1ncc2ccccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL187951
Phase Preclinical
Structure Type MOL
InChI Key CZAAKPFIWJXPQT-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

145.2
MW (Da)
1.21
ALogP
3
HBA
1
HBD
51.8
PSA (Ų)
0.61
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 C8H7N3
MW 145.16
Aromatic Rings 2
Heavy Atoms 11
NP-Likeness -0.78

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
23664164 10.1016/j.bmc.2013.04.011 Amine oxidase [copper-containing] 3 2
15481978 10.1021/jm049533z Tyrosine-protein kinase TEC 1
15481978 10.1021/jm049533z No relevant target 1

Data from ChEMBL 36 via Core Engine